 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_B3LYPDBJ_augccpVDZ.in
 Output=21_phenylethanol_conformer05_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-82000.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     82008.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer05_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0323314813 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.8582215547 Hartrees.
 Leave Link  301 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.76D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:44:03 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.169023405522    
 DIIS: error= 2.47D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.169023405522     IErMin= 1 ErrMin= 2.47D-03
 ErrMax= 2.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-03 BMatP= 4.70D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.47D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.235 Goal=   None    Shift=    0.000
 GapD=    0.235 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.02D-02 MaxDP=4.39D+00              OVMax= 2.28D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.37D-02    CP:  1.96D+00
 E= -386.173430784484     Delta-E=       -0.004407378962 Rises=F Damp=F
 DIIS: error= 2.48D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.173430784484     IErMin= 2 ErrMin= 2.48D-04
 ErrMax= 2.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-05 BMatP= 4.70D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.48D-03
 Coeff-Com:  0.680D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.678D-02 0.993D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.94D-03 MaxDP=1.67D-01 DE=-4.41D-03 OVMax= 3.22D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.51D-04    CP:  1.99D+00  1.04D+00
 E= -386.173390862904     Delta-E=        0.000039921581 Rises=F Damp=F
 DIIS: error= 3.52D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -386.173430784484     IErMin= 2 ErrMin= 2.48D-04
 ErrMax= 3.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-04 BMatP= 6.59D-05
 IDIUse=3 WtCom= 3.48D-01 WtEn= 6.52D-01
 Coeff-Com: -0.755D-02 0.594D+00 0.414D+00
 Coeff-En:   0.000D+00 0.614D+00 0.386D+00
 Coeff:     -0.262D-02 0.607D+00 0.396D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=2.14D-04 MaxDP=8.66D-03 DE= 3.99D-05 OVMax= 2.44D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.30D-04    CP:  1.99D+00  1.04D+00  8.94D-01
 E= -386.173496522941     Delta-E=       -0.000105660038 Rises=F Damp=F
 DIIS: error= 3.01D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.173496522941     IErMin= 4 ErrMin= 3.01D-05
 ErrMax= 3.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-06 BMatP= 6.59D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.447D-02 0.153D+00 0.137D+00 0.715D+00
 Coeff:     -0.447D-02 0.153D+00 0.137D+00 0.715D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=4.24D-03 DE=-1.06D-04 OVMax= 5.71D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.30D-05    CP:  1.99D+00  1.04D+00  8.82D-01  1.14D+00
 E= -386.173497298380     Delta-E=       -0.000000775439 Rises=F Damp=F
 DIIS: error= 2.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.173497298380     IErMin= 5 ErrMin= 2.41D-05
 ErrMax= 2.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-07 BMatP= 1.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-02 0.352D-01 0.444D-01 0.418D+00 0.504D+00
 Coeff:     -0.170D-02 0.352D-01 0.444D-01 0.418D+00 0.504D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.74D-05 MaxDP=7.78D-04 DE=-7.75D-07 OVMax= 3.62D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.14D-05    CP:  1.99D+00  1.04D+00  8.91D-01  1.15D+00  8.14D-01
 E= -386.173497895180     Delta-E=       -0.000000596799 Rises=F Damp=F
 DIIS: error= 8.36D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.173497895180     IErMin= 6 ErrMin= 8.36D-06
 ErrMax= 8.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.76D-08 BMatP= 5.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.443D-03 0.336D-02 0.114D-01 0.160D+00 0.283D+00 0.543D+00
 Coeff:     -0.443D-03 0.336D-02 0.114D-01 0.160D+00 0.283D+00 0.543D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=4.83D-06 MaxDP=1.68D-04 DE=-5.97D-07 OVMax= 1.12D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.50D-06    CP:  1.99D+00  1.04D+00  8.93D-01  1.13D+00  8.46D-01
                    CP:  9.33D-01
 E= -386.173497943796     Delta-E=       -0.000000048616 Rises=F Damp=F
 DIIS: error= 2.59D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.173497943796     IErMin= 7 ErrMin= 2.59D-06
 ErrMax= 2.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.72D-09 BMatP= 4.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.697D-04-0.241D-02 0.123D-02 0.350D-01 0.942D-01 0.306D+00
 Coeff-Com:  0.566D+00
 Coeff:     -0.697D-04-0.241D-02 0.123D-02 0.350D-01 0.942D-01 0.306D+00
 Coeff:      0.566D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.63D-06 MaxDP=5.96D-05 DE=-4.86D-08 OVMax= 2.51D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.37D-07    CP:  1.99D+00  1.04D+00  8.93D-01  1.14D+00  8.45D-01
                    CP:  9.48D-01  7.95D-01
 E= -386.173497949418     Delta-E=       -0.000000005622 Rises=F Damp=F
 DIIS: error= 3.09D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.173497949418     IErMin= 8 ErrMin= 3.09D-07
 ErrMax= 3.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.79D-11 BMatP= 5.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-04-0.886D-03-0.239D-03-0.548D-03 0.109D-01 0.557D-01
 Coeff-Com:  0.157D+00 0.778D+00
 Coeff:      0.134D-04-0.886D-03-0.239D-03-0.548D-03 0.109D-01 0.557D-01
 Coeff:      0.157D+00 0.778D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=6.18D-07 MaxDP=3.56D-05 DE=-5.62D-09 OVMax= 4.72D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.05D-07    CP:  1.99D+00  1.04D+00  8.94D-01  1.14D+00  8.48D-01
                    CP:  9.56D-01  8.04D-01  9.65D-01
 E= -386.173497949467     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 2.43D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.173497949467     IErMin= 9 ErrMin= 2.43D-07
 ErrMax= 2.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-11 BMatP= 9.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-04-0.418D-03-0.206D-03-0.220D-02 0.180D-02 0.178D-01
 Coeff-Com:  0.624D-01 0.460D+00 0.460D+00
 Coeff:      0.121D-04-0.418D-03-0.206D-03-0.220D-02 0.180D-02 0.178D-01
 Coeff:      0.624D-01 0.460D+00 0.460D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.53D-07 MaxDP=7.34D-06 DE=-4.95D-11 OVMax= 2.82D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.99D+00  1.04D+00  8.94D-01  1.14D+00  8.48D-01
                    CP:  9.55D-01  8.09D-01  9.88D-01  8.19D-01
 E= -386.173497949497     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 5.27D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.173497949497     IErMin=10 ErrMin= 5.27D-08
 ErrMax= 5.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-12 BMatP= 4.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.482D-05-0.134D-03-0.822D-04-0.110D-02-0.641D-04 0.422D-02
 Coeff-Com:  0.177D-01 0.162D+00 0.231D+00 0.587D+00
 Coeff:      0.482D-05-0.134D-03-0.822D-04-0.110D-02-0.641D-04 0.422D-02
 Coeff:      0.177D-01 0.162D+00 0.231D+00 0.587D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=4.00D-08 MaxDP=2.05D-06 DE=-2.99D-11 OVMax= 8.47D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.54D-08    CP:  1.99D+00  1.04D+00  8.94D-01  1.14D+00  8.48D-01
                    CP:  9.55D-01  8.08D-01  9.90D-01  8.62D-01  8.85D-01
 E= -386.173497949519     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.35D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -386.173497949519     IErMin=11 ErrMin= 2.35D-08
 ErrMax= 2.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-13 BMatP= 1.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.552D-06-0.349D-05-0.905D-05-0.248D-03-0.342D-03-0.595D-03
 Coeff-Com: -0.637D-03 0.118D-01 0.543D-01 0.357D+00 0.579D+00
 Coeff:      0.552D-06-0.349D-05-0.905D-05-0.248D-03-0.342D-03-0.595D-03
 Coeff:     -0.637D-03 0.118D-01 0.543D-01 0.357D+00 0.579D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=5.59D-07 DE=-2.17D-11 OVMax= 2.64D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.21D-09    CP:  1.99D+00  1.04D+00  8.94D-01  1.14D+00  8.48D-01
                    CP:  9.55D-01  8.09D-01  9.92D-01  8.63D-01  9.02D-01
                    CP:  6.75D-01
 E= -386.173497949521     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 2.92D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -386.173497949521     IErMin=12 ErrMin= 2.92D-09
 ErrMax= 2.92D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-14 BMatP= 4.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-08 0.533D-05 0.485D-06-0.426D-04-0.145D-03-0.477D-03
 Coeff-Com: -0.119D-02-0.474D-02 0.935D-02 0.119D+00 0.248D+00 0.630D+00
 Coeff:     -0.251D-08 0.533D-05 0.485D-06-0.426D-04-0.145D-03-0.477D-03
 Coeff:     -0.119D-02-0.474D-02 0.935D-02 0.119D+00 0.248D+00 0.630D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=2.70D-09 MaxDP=7.55D-08 DE=-2.05D-12 OVMax= 3.66D-08

 SCF Done:  E(RB3LYP) =  -386.173497950     A.U. after   12 cycles
            NFock= 12  Conv=0.27D-08     -V/T= 2.0060
 KE= 3.838806697823D+02 PE=-1.749610363040D+03 EE= 5.536979737538D+02
 Leave Link  502 at Thu Aug 12 19:45:39 2021, MaxMem=  5368709120 cpu:             767.9 elap:              96.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.12366873D+03

 Leave Link  801 at Thu Aug 12 19:45:39 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.96D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 4.36D-01 9.46D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 5.40D-02 5.13D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.54D-03 1.13D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.69D-04 4.98D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 6.31D-06 3.36D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 1.43D-07 5.24D-05.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.32D-09 5.54D-06.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 1.16D-11 4.13D-07.
      8 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 1.39D-13 4.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.133813D+03
      2  0.129148D+01  0.107301D+03
      3  0.123475D+01  0.646323D+01  0.743709D+02
 Isotropic polarizability for W=    0.085645      105.16 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.846713D+02  0.105969D+02  0.240792D+01
      2  -0.323482D+02 -0.153775D+02 -0.167008D+02
      3  -0.523231D+02  0.478063D+01  0.142929D+02
      4  -0.204688D+02  0.772734D+02  0.347337D+02
      5   0.319072D+02  0.362199D+02 -0.858427D+01
      6   0.135150D+02  0.102431D+02 -0.174243D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.124449D+01  0.335831D+01  0.731931D+01
      2   0.751026D+01  0.142108D+02 -0.697784D+00
      3  -0.662744D+01 -0.425348D+02 -0.134108D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.148621D+01  0.269439D+02  0.222049D+02
      2  -0.294993D+02  0.212187D+02  0.437388D+02
      3  -0.310658D+02 -0.109622D+03 -0.227049D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.771552D+00 -0.303656D+01 -0.128057D+01
      2  -0.303656D+01 -0.202299D+01  0.257281D+01
      3  -0.128057D+01  0.257281D+01  0.806944D+00
 OR G Eigenvalues:    -4.4609    -0.4751     4.4915  Iso=     0.1482
 Eigenvectors:
   (1)   0.417616   0.852359  -0.314772
   (2)   0.659263  -0.045847   0.750514
   (3)   0.625275  -0.520944  -0.581075
 w=    0.085645 a.u., Optical Rotation Beta=      0.1482 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       57.52 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.88D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.22D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.10D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 3.01D-02 3.56D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 6.73D-04 5.00D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 6.56D-06 3.69D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 6.31D-08 3.51D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 1.58D-10 1.36D-06.
     29 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 2.93D-13 5.37D-08.
      6 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 3.71D-15 1.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   215 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 8.17D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 8.17D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133813D+03  0.129148D+01  0.123475D+01
      2   0.129148D+01  0.107301D+03  0.646323D+01
      3   0.123475D+01  0.646323D+01  0.743709D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.124449D+01  0.335831D+01  0.731931D+01
      2   0.751026D+01  0.142108D+02 -0.697784D+00
      3  -0.662744D+01 -0.425348D+02 -0.134108D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.846713D+02  0.105969D+02  0.240792D+01
      2  -0.323482D+02 -0.153775D+02 -0.167008D+02
      3  -0.523231D+02  0.478063D+01  0.142929D+02
      4  -0.204688D+02  0.772734D+02  0.347337D+02
      5   0.319072D+02  0.362199D+02 -0.858427D+01
      6   0.135150D+02  0.102431D+02 -0.174243D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.803440D+01  0.285228D+00 -0.117476D+00  0.136459D+01 -0.224054D+01
      2   0.285228D+00  0.738375D+00  0.501446D+00 -0.224054D+01  0.304082D+01
      3  -0.117476D+00  0.501446D+00  0.500536D+00  0.145894D+01 -0.250848D+01
                 6             7             8             9            10 
      1   0.145894D+01 -0.836407D-02  0.109289D+01 -0.136790D+01  0.631764D+01
      2  -0.250848D+01  0.109289D+01 -0.472226D+00  0.109346D+01  0.186501D+01
      3   0.555578D+00 -0.136790D+01  0.109346D+01 -0.147477D+01 -0.124434D+01
                11            12            13            14            15 
      1   0.186501D+01 -0.124434D+01  0.563318D+01  0.424473D+01 -0.220343D+01
      2   0.144394D+01 -0.145477D+01  0.424473D+01  0.172545D+01  0.395944D+01
      3  -0.145477D+01  0.235779D+01 -0.220343D+01  0.395944D+01  0.425911D+01
                16            17            18            19            20 
      1  -0.609251D+01 -0.206196D+01  0.510130D+01 -0.125402D+02  0.226704D+01
      2  -0.206196D+01  0.186383D+01  0.434883D+01  0.226704D+01 -0.170590D+01
      3   0.510130D+01  0.434883D+01  0.114278D+00 -0.112462D+01  0.487414D+00
                21            22            23            24            25 
      1  -0.112462D+01  0.766994D+00 -0.969481D+00 -0.688378D-02  0.488403D+00
      2   0.487414D+00 -0.969481D+00  0.704655D+00 -0.264908D-01 -0.136762D+00
      3  -0.137801D+01 -0.688378D-02 -0.264908D-01  0.179464D+00 -0.791331D+00
                26            27            28            29            30 
      1  -0.136762D+00 -0.791331D+00 -0.116188D+01 -0.132764D+01 -0.106843D+01
      2   0.122468D+00  0.362201D+00 -0.132764D+01 -0.986938D+00 -0.420358D+00
      3   0.362201D+00 -0.459554D+00 -0.106843D+01 -0.420358D+00 -0.131858D+01
                31            32            33            34            35 
      1  -0.377374D+01 -0.192650D+01 -0.820421D+00 -0.200479D+01 -0.857887D+00
      2  -0.192650D+01 -0.419054D+01 -0.267440D+01 -0.857887D+00 -0.270555D+01
      3  -0.820421D+00 -0.267440D+01 -0.303129D+01 -0.205401D+01 -0.287252D+01
                36            37            38            39            40 
      1  -0.205401D+01  0.108080D+02  0.183191D+01  0.585424D+00 -0.433279D+00
      2  -0.287252D+01  0.183191D+01 -0.243607D+01  0.101986D+01 -0.276962D+01
      3  -0.438560D+01  0.585424D+00  0.101986D+01 -0.263650D+01  0.203094D+01
                41            42            43            44            45 
      1  -0.276962D+01  0.203094D+01  0.708619D+01  0.251285D+01 -0.414868D+01
      2   0.250579D+01 -0.323444D+01  0.251285D+01 -0.166109D+01 -0.335762D+01
      3  -0.323444D+01 -0.332549D+01 -0.414868D+01 -0.335762D+01  0.698412D-01
                46            47            48            49            50 
      1  -0.200966D+02 -0.337431D+01  0.477205D+00 -0.403846D+01  0.948040D+00
      2  -0.337431D+01 -0.308945D+01  0.893515D-01  0.948040D+00 -0.174236D+00
      3   0.477205D+00  0.893515D-01 -0.209566D+01  0.149425D+01 -0.348534D+00
                51            52            53            54            55 
      1   0.149425D+01 -0.245207D+00  0.138019D+01 -0.392190D+01  0.971742D-01
      2  -0.348534D+00  0.138019D+01 -0.418644D+00 -0.743202D+00 -0.107047D+01
      3  -0.292225D+00 -0.392190D+01 -0.743202D+00 -0.117788D+01  0.245354D+00
                56            57            58            59            60 
      1  -0.107047D+01  0.245354D+00 -0.167734D+01  0.677983D+00 -0.187212D+00
      2   0.164706D+01 -0.807787D+00  0.677983D+00 -0.622164D+01  0.249455D+01
      3  -0.807787D+00  0.110376D+01 -0.187212D+00  0.249455D+01 -0.201353D+01
                61            62            63            64            65 
      1   0.274437D-01 -0.414541D+00  0.353375D+00 -0.152693D+02 -0.247505D+01
      2  -0.414541D+00  0.158146D+01 -0.129908D+01 -0.247505D+01 -0.134663D+01
      3   0.353375D+00 -0.129908D+01  0.168791D+01  0.139938D+01  0.386151D+00
                66            67            68            69            70 
      1   0.139938D+01 -0.181063D+01 -0.155755D+01  0.174946D-01 -0.198341D+01
      2   0.386151D+00 -0.155755D+01 -0.104688D+01  0.477196D+00 -0.428122D+00
      3  -0.145335D+01  0.174946D-01  0.477196D+00 -0.273077D-01 -0.887674D+00
                71            72            73            74            75 
      1  -0.428122D+00 -0.887674D+00 -0.312106D+00  0.433274D+00  0.473446D+00
      2  -0.221852D+00  0.758067D-01  0.433274D+00  0.462700D+00  0.319822D-02
      3   0.758067D-01 -0.809588D-01  0.473446D+00  0.319822D-02  0.109773D+01
                76            77            78            79            80 
      1   0.153118D+01  0.106079D+00 -0.712530D+00  0.935399D+00 -0.104332D+00
      2   0.106079D+00  0.200881D+01  0.201738D+01 -0.104332D+00  0.186804D+01
      3  -0.712530D+00  0.201738D+01  0.344492D+01 -0.286245D+00  0.165767D+01
                81            82            83            84            85 
      1  -0.286245D+00  0.457147D+01 -0.685824D+00  0.747728D-01  0.953385D+01
      2   0.165767D+01 -0.685824D+00 -0.380771D+01 -0.921404D+00  0.593197D+00
      3   0.505671D+01  0.747728D-01 -0.921404D+00 -0.231260D+01  0.135072D+00
                86            87            88            89            90 
      1   0.593197D+00  0.135072D+00  0.327931D+01 -0.287837D+00 -0.202559D+01
      2   0.191254D+01 -0.802504D+00 -0.287837D+00 -0.193440D+01  0.313983D+01
      3  -0.802504D+00  0.170601D+01 -0.202559D+01  0.313983D+01  0.122026D+01
                91            92            93            94            95 
      1  -0.453952D+01 -0.729944D+00 -0.273198D+00  0.557104D+01  0.454108D+00
      2  -0.729944D+00  0.324415D+01 -0.198473D+00  0.454108D+00  0.134276D+01
      3  -0.273198D+00 -0.198473D+00  0.914924D+00 -0.473965D+00 -0.128956D+01
                96            97            98            99           100 
      1  -0.473965D+00  0.593054D+00 -0.973868D+00  0.209261D+01  0.648217D+01
      2  -0.128956D+01 -0.973868D+00 -0.131402D+01  0.374440D+01  0.556873D+00
      3   0.220219D+01  0.209261D+01  0.374440D+01  0.311828D+01 -0.678550D+00
               101           102           103           104           105 
      1   0.556873D+00 -0.678550D+00  0.161249D+01 -0.779715D+00 -0.151081D+01
      2   0.356974D+01  0.156637D-01 -0.779715D+00  0.300638D+00 -0.657332D+00
      3   0.156637D-01  0.334238D+01 -0.151081D+01 -0.657332D+00 -0.643195D-01
               106           107           108           109           110 
      1   0.413015D-01 -0.150882D+01  0.541508D+01 -0.359747D+01 -0.682667D+00
      2  -0.150882D+01  0.260917D+00  0.317123D+00 -0.682667D+00  0.293610D+01
      3   0.541508D+01  0.317123D+00  0.126764D+01 -0.498918D+00  0.104940D+01
               111           112           113           114           115 
      1  -0.498918D+00 -0.675017D+01 -0.755652D+00 -0.105324D+01 -0.238642D+01
      2   0.104940D+01 -0.755652D+00 -0.115501D+01  0.154167D+01 -0.666974D+00
      3   0.214297D+01 -0.105324D+01  0.154167D+01 -0.217785D+01  0.305559D+01
               116           117           118           119           120 
      1  -0.666974D+00  0.305559D+01  0.563122D+01  0.279686D+01  0.694130D+00
      2   0.208126D+01 -0.311426D+01  0.279686D+01 -0.304392D+01 -0.107001D+00
      3  -0.311426D+01 -0.170458D+01  0.694130D+00 -0.107001D+00 -0.147713D+01
               121           122           123           124           125 
      1  -0.786689D+01 -0.974774D+00  0.506037D+00 -0.677167D+00  0.131716D+01
      2  -0.974774D+00 -0.196739D+01  0.126847D+01  0.131716D+01  0.109403D+01
      3   0.506037D+00  0.126847D+01 -0.143886D+01 -0.753799D+00 -0.313500D+01
               126           127           128           129           130 
      1  -0.753799D+00 -0.313722D+01  0.225337D+01  0.177539D+00  0.229960D+01
      2  -0.313500D+01  0.225337D+01 -0.283291D+01 -0.319270D+00 -0.288506D+01
      3  -0.320241D+01  0.177539D+00 -0.319270D+00 -0.318618D+00 -0.503881D+00
               131           132           133           134           135 
      1  -0.288506D+01 -0.503881D+00  0.834244D-01 -0.373438D+00 -0.752136D-01
      2   0.627399D+01  0.868191D+00 -0.373438D+00  0.116690D+01  0.236964D+00
      3   0.868191D+00  0.806892D+00 -0.752136D-01  0.236964D+00  0.142733D+00
               136           137           138           139           140 
      1   0.245142D+01  0.274389D+01  0.824744D+00  0.240170D+01  0.388856D+01
      2   0.274389D+01  0.298803D+01  0.830801D+00  0.388856D+01  0.906979D+01
      3   0.824744D+00  0.830801D+00  0.549794D+00  0.103753D+01  0.223925D+01
               141           142           143           144           145 
      1   0.103753D+01  0.790881D+00  0.120677D+01  0.340164D+00  0.133594D+02
      2   0.223925D+01  0.120677D+01  0.241922D+01  0.568807D+00  0.939394D+00
      3   0.128740D+01  0.340164D+00  0.568807D+00  0.316585D+00  0.129212D+01
               146           147           148           149           150 
      1   0.939394D+00  0.129212D+01  0.806255D+00  0.160911D+01  0.503015D+00
      2   0.759374D+00  0.867208D-01  0.160911D+01  0.349007D+00  0.182704D+00
      3   0.867208D-01  0.854107D+00  0.503015D+00  0.182704D+00  0.129680D+00
               151           152           153           154           155 
      1   0.138191D+01  0.488269D+00  0.461724D-01  0.457462D+01 -0.380279D+01
      2   0.488269D+00  0.107527D+00  0.156117D-01 -0.380279D+01  0.358034D+01
      3   0.461724D-01  0.156117D-01  0.156144D+00 -0.630174D+00  0.516887D+00
               156           157           158           159           160 
      1  -0.630174D+00 -0.362744D+01  0.452140D+01  0.948771D+00 -0.545089D+00
      2   0.516887D+00  0.452140D+01 -0.679723D+01 -0.127607D+01  0.721306D+00
      3   0.529732D+00  0.948771D+00 -0.127607D+01 -0.846706D+00  0.142896D+00
               161           162           163           164           165 
      1   0.721306D+00  0.142896D+00 -0.167317D+01 -0.182415D+01 -0.608405D+00
      2  -0.147597D+01 -0.271491D+00 -0.182415D+01 -0.212026D+01 -0.757817D+00
      3  -0.271491D+00 -0.194634D+00 -0.608405D+00 -0.757817D+00 -0.403282D+00
               166           167           168           169           170 
      1  -0.154295D+01 -0.218432D+01 -0.659676D+00 -0.764357D+00 -0.904908D+00
      2  -0.218432D+01 -0.768131D+01 -0.223105D+01 -0.904908D+00 -0.236193D+01
      3  -0.659676D+00 -0.223105D+01 -0.135367D+01 -0.234836D+00 -0.767531D+00
               171 
      1  -0.234836D+00
      2  -0.767531D+00
      3  -0.469987D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.410373D+00  0.675493D+00  0.109770D+01 -0.175995D+00 -0.374222D+01
      2   0.686563D+01 -0.122978D+01  0.146750D+01 -0.318181D+00  0.346359D+01
      3   0.157975D+02 -0.474780D+01  0.210639D+01  0.228484D+01  0.105119D+02
                 6             7             8             9            10 
      1  -0.464328D+01 -0.260526D+01  0.422127D+01  0.588113D+00 -0.184446D+01
      2  -0.283119D+01 -0.275731D+01 -0.134235D+00  0.297205D+01  0.371421D+01
      3  -0.527438D+01  0.813594D+00 -0.135002D+01  0.277882D+01  0.156474D+01
                11            12            13            14            15 
      1  -0.253673D+00  0.247408D-01  0.121605D+01  0.254625D+01  0.193237D+01
      2   0.244736D+01 -0.393404D+01  0.392569D+01 -0.644198D+01 -0.658774D+01
      3   0.196324D+01 -0.643392D+00  0.120767D+02 -0.305866D+01  0.888109D+01
                16            17            18            19            20 
      1   0.530716D+01  0.497043D+01 -0.189320D+01 -0.626140D+00  0.840151D+00
      2  -0.170881D+02 -0.102550D+02 -0.207808D+00 -0.692904D+01  0.338989D+00
      3  -0.131061D+01  0.745130D+01  0.664841D+01 -0.974149D+01 -0.414299D+01
                21            22            23            24            25 
      1   0.919320D+00  0.506878D+00 -0.239799D+00 -0.540990D+00  0.649481D+00
      2   0.539337D+01 -0.721908D-02 -0.993929D+00  0.136493D+00  0.122971D+01
      3   0.783769D-01 -0.115747D+01  0.465113D+00  0.386184D+00  0.194931D+00
                26            27            28            29            30 
      1   0.766727D-01 -0.347031D+00 -0.107709D+01  0.135524D+00 -0.114371D+01
      2  -0.516167D+00  0.519935D-01  0.135889D+01  0.552380D+00  0.298224D+01
      3   0.358764D+00 -0.255413D+00 -0.243887D+01 -0.314679D+01 -0.255903D+00
                31            32            33            34            35 
      1  -0.285811D+00  0.123178D+01 -0.283347D+01 -0.142256D+01  0.128398D+01
      2  -0.440680D+00  0.455198D+01  0.575103D+01  0.535337D+00  0.441210D+01
      3   0.445499D+00 -0.775422D+01 -0.545436D+01  0.851032D+00 -0.552939D+01
                36            37            38            39            40 
      1  -0.261729D+01  0.414407D+01 -0.327368D+01 -0.166232D+01 -0.934436D-01
      2   0.718136D+01 -0.142493D+02 -0.530687D+01  0.977812D+01 -0.734779D+01
      3  -0.487829D+01 -0.380384D+01 -0.116161D+02  0.126147D+01 -0.498648D+01
                41            42            43            44            45 
      1   0.251217D+01 -0.110307D+02 -0.217404D+01 -0.539298D+01 -0.295735D+01
      2   0.113349D+02  0.667965D+01  0.704602D+01  0.764582D+01  0.372916D+01
      3   0.118350D+02 -0.121104D+02  0.177158D+01 -0.102776D+02 -0.575684D+01
                46            47            48            49            50 
      1  -0.238994D+00 -0.346836D+00 -0.441182D+00 -0.258132D+01 -0.384664D+01
      2  -0.313597D+01 -0.156003D+01 -0.106818D+01 -0.191082D+01  0.526797D+00
      3  -0.358225D+01  0.669694D+01  0.121957D+01  0.178966D+02  0.184482D+01
                51            52            53            54            55 
      1   0.120917D+01 -0.198605D-01  0.103596D+02  0.270145D+01 -0.171797D+01
      2   0.103494D+01 -0.137180D+02  0.719841D+00  0.488824D+00 -0.220128D+01
      3  -0.166709D+01  0.611900D+00  0.697001D+00 -0.494518D+00 -0.510734D+01
                56            57            58            59            60 
      1   0.202650D+01  0.106967D+01  0.136603D+01 -0.601780D+01 -0.891767D+00
      2   0.276751D+01 -0.212375D+01  0.344786D+01 -0.761140D+01  0.474813D+01
      3   0.521221D+01 -0.172835D+01  0.693078D+01 -0.165159D+02  0.663285D+01
                61            62            63            64            65 
      1   0.515559D+00  0.227217D+01  0.400925D+00 -0.679106D+00 -0.157535D+01
      2  -0.235221D+01  0.324230D+01 -0.392699D+01  0.100004D+02  0.853581D+00
      3  -0.933006D+00  0.448139D+01 -0.391746D+01  0.645021D+01 -0.580004D+01
                66            67            68            69            70 
      1  -0.169665D+01 -0.135102D+01 -0.661312D+00 -0.199674D+00 -0.126793D+01
      2   0.704859D+01  0.170215D+01 -0.371204D+00  0.460229D+00  0.182234D+01
      3   0.270417D+00 -0.154802D+01 -0.224291D+01  0.150328D+01  0.557967D-01
                71            72            73            74            75 
      1   0.101008D+01 -0.539608D-01  0.142978D+01  0.142735D+01  0.646291D+00
      2  -0.234712D+00  0.679894D+00 -0.185184D+01 -0.922586D+00 -0.253459D+01
      3   0.585745D+00  0.143953D+01  0.189356D+01  0.986162D+00 -0.795564D-01
                76            77            78            79            80 
      1   0.503385D+00  0.553008D+01  0.390967D+01 -0.162975D+00  0.622666D+01
      2  -0.136694D+01 -0.586244D+01 -0.841240D+01 -0.282058D+01 -0.475070D+01
      3   0.157911D+01  0.551100D+01  0.582749D+01 -0.486339D+00  0.538985D+01
                81            82            83            84            85 
      1   0.657680D+01 -0.628473D+00  0.493425D-01  0.356376D+01 -0.826702D+00
      2  -0.122624D+02  0.258237D+01  0.106829D+00 -0.163963D+01  0.451948D+01
      3   0.517942D+01  0.205363D+01  0.493922D+00  0.160373D+01  0.434003D+01
                86            87            88            89            90 
      1   0.492024D+00 -0.249468D+01  0.683409D+01  0.294912D+01  0.176466D+00
      2   0.129785D+01  0.267661D+00 -0.122003D+02 -0.525483D+00 -0.742180D-02
      3  -0.672317D+01  0.799793D+00 -0.101217D+01 -0.567435D+00 -0.531516D+01
                91            92            93            94            95 
      1   0.111599D+01  0.866530D+00 -0.189617D+01  0.152471D+01  0.999394D-01
      2  -0.694209D+00  0.268408D+01 -0.102150D+00  0.155971D+01 -0.376275D+01
      3   0.456622D+00 -0.118848D+02 -0.308808D+01  0.402902D+01 -0.176248D+01
                96            97            98            99           100 
      1  -0.387010D+01 -0.513403D+01  0.134912D+01 -0.171516D+01  0.250056D+00
      2   0.608261D+01 -0.837277D+01  0.900739D+01  0.508471D+01  0.977158D-01
      3   0.233521D+01 -0.493389D+00  0.256057D+01 -0.470772D+01 -0.128217D+01
               101           102           103           104           105 
      1  -0.774562D+00 -0.123918D+01 -0.936203D+00 -0.348338D+01  0.318063D+01
      2  -0.597259D+00  0.946796D+01 -0.517504D+01 -0.430074D+00  0.412787D+00
      3  -0.803011D+01  0.482741D+00  0.122983D+02  0.726503D+00  0.193081D+01
               106           107           108           109           110 
      1  -0.183678D+01  0.110590D+02  0.342654D+01 -0.955980D+00 -0.132155D+01
      2   0.805872D+01  0.141168D+01  0.302871D+01 -0.126240D+01  0.276817D+01
      3   0.502944D+01  0.144301D+01  0.464947D+00  0.445884D+00 -0.126154D+02
               111           112           113           114           115 
      1   0.327825D+01 -0.189604D+01  0.734181D-01 -0.290190D+01  0.708759D+01
      2   0.268489D+01 -0.114213D+01  0.437112D+01 -0.662466D+01 -0.465526D+01
      3  -0.273704D+01  0.580222D+01  0.521155D+00 -0.301142D+01 -0.741682D+00
               116           117           118           119           120 
      1   0.320003D+01  0.156354D+01 -0.942031D-01  0.205363D+01 -0.289108D+01
      2  -0.988110D+01 -0.498956D+01  0.411963D+01  0.161385D+01 -0.139102D+01
      3  -0.479823D+01  0.350794D+01 -0.999728D+00 -0.123546D+01 -0.245994D+01
               121           122           123           124           125 
      1   0.174925D+01  0.678602D+00 -0.302287D+01 -0.526242D+01  0.145620D+01
      2   0.189173D+01 -0.107236D+01 -0.109288D+01 -0.141069D+02 -0.130795D+01
      3   0.173528D+01  0.737606D+01  0.686554D-01 -0.379895D+01 -0.591701D+00
               126           127           128           129           130 
      1  -0.880933D+00  0.427364D+00 -0.640185D+00  0.189074D+01  0.149677D+00
      2  -0.311838D+01  0.167972D+01 -0.767650D+00  0.490552D+00 -0.734582D+00
      3   0.533933D+01 -0.914335D+01  0.368437D+01  0.105764D+00  0.690381D+01
               131           132           133           134           135 
      1  -0.906381D-01 -0.317415D+01 -0.196270D+00  0.184011D+01 -0.753429D-02
      2   0.128863D+01 -0.100080D+01 -0.146970D+01  0.609317D+00 -0.306578D+00
      3  -0.531390D+01 -0.121437D+01 -0.200291D+00 -0.733500D+00 -0.184238D+00
               136           137           138           139           140 
      1  -0.259975D+00  0.526444D-01 -0.174469D+01 -0.212667D+00  0.541023D+00
      2   0.467706D+00  0.847855D+00  0.187350D+01  0.729719D+00  0.336352D+01
      3  -0.828630D+00 -0.283900D+01 -0.563545D+00 -0.149919D+01 -0.131591D+02
               141           142           143           144           145 
      1  -0.421369D+01  0.539832D+00  0.205160D+01 -0.628495D+00 -0.132347D+00
      2   0.339954D+01 -0.472257D+00  0.197552D+00  0.772975D+00  0.179430D+01
      3  -0.294789D+01 -0.546022D+00 -0.351208D+01 -0.695802D+00 -0.234005D+00
               146           147           148           149           150 
      1   0.470783D+00 -0.437806D+00  0.129779D+00  0.323568D-01 -0.447395D+00
      2   0.118947D-02  0.606322D+01  0.181116D+01  0.394473D+00  0.692663D+00
      3  -0.525336D+01  0.954888D-01 -0.376902D+01 -0.832442D+00 -0.421465D+00
               151           152           153           154           155 
      1   0.250577D+00  0.522580D+00 -0.297834D-01  0.278456D+00 -0.689162D+00
      2  -0.276206D+01 -0.906720D-01  0.563280D+00  0.172531D+00 -0.104078D+00
      3  -0.134182D+01 -0.757173D+00 -0.141553D+00  0.157588D+01 -0.494624D+01
               156           157           158           159           160 
      1   0.211296D+01  0.297884D+00  0.244992D+00 -0.337659D+01 -0.958533D+00
      2   0.259544D+01  0.778971D+00 -0.164985D+01 -0.319188D+01 -0.642060D+00
      3  -0.259500D+00 -0.335937D+01  0.112190D+02  0.161293D+01 -0.115909D+01
               161           162           163           164           165 
      1   0.170439D+01 -0.438353D+00  0.198647D+00  0.277060D+00 -0.145064D+01
      2   0.541331D+00 -0.460023D+00 -0.191181D+01 -0.126106D+01  0.132872D+00
      3   0.265788D+01  0.385992D+00  0.627633D+01  0.356703D+01  0.136158D+01
               166           167           168           169           170 
      1   0.298255D+00  0.866672D+00 -0.377549D+01  0.503712D+00  0.249419D+01
      2  -0.192310D+01 -0.239686D+01  0.758201D-01 -0.218123D+01 -0.737381D+00
      3   0.690390D+01  0.799842D+01  0.274116D+01  0.269510D+01  0.249158D+01
               171 
      1  -0.634975D+00
      2   0.108155D+00
      3   0.602602D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.384742D+02  0.307421D+01  0.152136D+00 -0.542452D+01 -0.619810D+01
      2   0.208389D+02 -0.384025D+01 -0.143565D+01 -0.603859D-02  0.135527D+02
      3   0.176353D+02  0.766036D+00  0.128351D+01  0.543055D+01 -0.735457D+01
      4   0.727359D+01  0.446437D+01 -0.206642D+01  0.189269D+02 -0.200315D+02
      5  -0.647345D+01 -0.208132D+01  0.591608D+01 -0.107614D+02  0.114685D+02
      6  -0.142556D+01 -0.383415D+00 -0.247721D+01  0.428190D+01 -0.649628D+01
                 6             7             8             9            10 
      1   0.105260D+01  0.809404D+00  0.271836D+01 -0.331832D+01  0.113348D+02
      2   0.219284D+01 -0.101668D+01 -0.211533D+01 -0.473861D+01 -0.242608D+01
      3  -0.324544D+01  0.207272D+00 -0.603025D+00  0.805693D+01 -0.890875D+01
      4   0.122182D+02 -0.783350D+01  0.393775D+01 -0.542307D+01 -0.589954D+01
      5  -0.612227D+01  0.123699D+02 -0.595668D+01  0.885930D+01  0.741741D+01
      6   0.126151D+02 -0.163026D+01  0.781810D+01 -0.729725D+01  0.306284D+01
                11            12            13            14            15 
      1   0.153540D+01 -0.221759D+01  0.292200D+01 -0.917681D+00  0.635578D+01
      2   0.891555D+00 -0.115396D+01  0.377965D+01  0.335900D+00 -0.128285D+02
      3  -0.242696D+01  0.337155D+01 -0.670165D+01  0.581781D+00  0.647273D+01
      4  -0.143990D+02  0.443234D+01 -0.247152D+02 -0.500864D+01 -0.188568D+02
      5   0.518767D+01 -0.177258D+02  0.155359D+02 -0.178335D+02 -0.166240D+02
      6   0.149698D+01 -0.229260D+01 -0.550277D+01 -0.583484D+01 -0.154760D+02
                16            17            18            19            20 
      1   0.148951D+02  0.820750D+01 -0.281732D+01  0.672170D+02 -0.103932D+02
      2  -0.118057D+02 -0.349906D+01  0.546921D+01 -0.351728D+02  0.436982D+01
      3  -0.308932D+01 -0.470844D+01 -0.265190D+01 -0.320443D+02  0.602334D+01
      4   0.155404D+02 -0.967129D+01 -0.225619D+02 -0.249937D+02  0.122553D+02
      5  -0.307987D+02 -0.210038D+02  0.734796D+00  0.156531D+02 -0.372496D+01
      6  -0.134377D+02 -0.130914D+02  0.533276D+00 -0.289431D+01  0.147854D+01
                21            22            23            24            25 
      1   0.464466D+01 -0.279799D+00  0.399895D+01  0.291287D-01 -0.101212D+01
      2  -0.369125D+01 -0.143225D+01 -0.707140D+00 -0.872435D-01 -0.194449D+00
      3  -0.953405D+00  0.171205D+01 -0.329181D+01  0.581148D-01  0.120657D+01
      4  -0.314345D+01  0.849915D+01 -0.417303D+01  0.417104D+00  0.116827D+01
      5   0.934080D+01 -0.454385D-01  0.947418D+00 -0.582872D+00  0.669195D+01
      6  -0.201285D+01  0.156061D+01 -0.272617D+00  0.162666D+01 -0.132800D+01
                26            27            28            29            30 
      1   0.893466D+00  0.308927D+01  0.368716D+01  0.240349D+01  0.324125D+01
      2   0.151893D+00 -0.270763D+01 -0.223472D+01 -0.987400D+00 -0.144758D+01
      3  -0.104536D+01 -0.381648D+00 -0.145244D+01 -0.141609D+01 -0.179366D+01
      4  -0.389451D+00 -0.217983D+01  0.853293D+01  0.100441D+02  0.414692D+01
      5  -0.186587D+01  0.274868D+01  0.621751D+01  0.408597D+01  0.107741D+02
      6   0.106053D+01 -0.293050D+00  0.480462D+01  0.176796D+01  0.275415D+01
                31            32            33            34            35 
      1   0.229248D+01 -0.733065D+01 -0.559883D+01  0.132553D+01 -0.641648D+01
      2  -0.894345D+00  0.800050D+01  0.429101D+01 -0.179800D+01  0.151349D+01
      3  -0.139814D+01 -0.669848D+00  0.130782D+01  0.472479D+00  0.490300D+01
      4   0.122677D+02  0.197539D+02  0.122446D+02  0.570413D+01  0.125547D+02
      5   0.550483D+01  0.116020D+02  0.136334D+02  0.136292D+02  0.124703D+02
      6   0.462636D+01  0.135250D+02  0.129027D+02  0.609102D+01  0.128264D+02
                36            37            38            39            40 
      1  -0.848240D+01 -0.658437D+02 -0.178855D+02  0.686634D+01 -0.150332D+02
      2  -0.338028D+01  0.264412D+02  0.130038D+02  0.703854D+00  0.784437D+01
      3   0.118627D+02  0.394025D+02  0.488173D+01 -0.757020D+01  0.718887D+01
      4   0.134023D+02 -0.227748D+02  0.906063D+01 -0.340937D+01  0.118534D+02
      5   0.184124D+02  0.869542D+01 -0.951779D+00  0.137593D+02 -0.754310D+01
      6   0.141153D+02  0.127347D+01 -0.775846D+01  0.512532D+01 -0.556773D+01
                41            42            43            44            45 
      1   0.226380D+02 -0.226209D+01 -0.696793D+01 -0.337555D+01  0.116487D+02
      2  -0.145069D+02  0.167497D+02  0.101027D+02  0.130050D+02 -0.532928D+01
      3  -0.813101D+01 -0.144876D+02 -0.313482D+01 -0.962945D+01 -0.631941D+01
      4  -0.667307D+01  0.138474D+02 -0.144130D+02  0.780798D+01  0.200851D+02
      5   0.920494D+01  0.162784D+02  0.262182D+02  0.180078D+02 -0.575195D+01
      6   0.710915D+01 -0.451442D+01  0.108302D+02  0.184380D+00 -0.110105D+02
                46            47            48            49            50 
      1  -0.168004D+02 -0.572240D+00 -0.281013D+01  0.154280D+01 -0.423153D+01
      2   0.488494D+01  0.479868D+00  0.399566D+00 -0.367357D+01  0.975294D+01
      3   0.119155D+02  0.923718D-01  0.241056D+01  0.213077D+01 -0.552141D+01
      4   0.132637D+02  0.565038D+01 -0.549558D-01 -0.514398D+01 -0.273242D+01
      5  -0.951266D+01 -0.790694D+00  0.589116D+00 -0.534330D+01  0.191303D+01
      6  -0.375347D+01  0.592876D+00  0.922048D+00 -0.181940D+01  0.478975D+01
                51            52            53            54            55 
      1  -0.276142D+00 -0.100293D+02 -0.187076D+01 -0.827056D+01 -0.603125D+00
      2   0.650265D+01  0.924598D+00  0.291135D+01 -0.278739D+01  0.278179D+01
      3  -0.622651D+01  0.910466D+01 -0.104060D+01  0.110580D+02 -0.217866D+01
      4   0.151963D+01 -0.602929D+01  0.393598D+00  0.312997D+01  0.213560D+01
      5   0.192491D+01  0.542671D+01  0.251585D+01 -0.333681D+00  0.635674D+00
      6  -0.118362D+01 -0.245576D+00  0.785030D+01 -0.265712D+01 -0.289273D+01
                56            57            58            59            60 
      1   0.101871D+02 -0.544608D+01  0.105703D+02 -0.241308D+02  0.100937D+02
      2  -0.869506D+01  0.190007D+01 -0.672762D+01  0.271183D+02 -0.703021D+01
      3  -0.149208D+01  0.354601D+01 -0.384270D+01 -0.298757D+01 -0.306346D+01
      4  -0.250569D+01  0.123816D+01  0.261953D+01  0.232058D+02 -0.956368D+01
      5  -0.395481D+00 -0.208971D+01 -0.361390D+01 -0.687065D+01  0.653654D+01
      6   0.571669D+01 -0.423021D+01  0.208004D+01 -0.189719D+02  0.120453D+02
                61            62            63            64            65 
      1  -0.242011D+01  0.738555D+01 -0.931066D+01  0.894706D+02  0.111046D+02
      2   0.743147D+00 -0.396523D+01  0.299459D+01 -0.439084D+02 -0.332561D+01
      3   0.167696D+01 -0.342032D+01  0.631607D+01 -0.455621D+02 -0.777895D+01
      4   0.109195D+01 -0.575898D+01  0.367513D+01  0.303829D+02  0.158143D+02
      5   0.124475D+01  0.348032D+01 -0.486131D+01 -0.245155D+02 -0.450520D+01
      6  -0.222107D+01  0.106172D+02 -0.670227D+01 -0.440316D+01 -0.310381D+01
                66            67            68            69            70 
      1  -0.312210D+01  0.715552D+01  0.556417D+01  0.574743D+00  0.862994D+01
      2   0.469942D+01 -0.117896D+01 -0.811435D+00 -0.114389D+01 -0.190148D+01
      3  -0.157732D+01 -0.597656D+01 -0.475273D+01  0.569145D+00 -0.672845D+01
      4  -0.293819D+01  0.156408D+02  0.817427D+01 -0.255383D+01  0.331596D+01
      5   0.138831D+02 -0.196305D+01 -0.343268D+01  0.865017D+00  0.927720D+01
      6   0.338740D+01 -0.230897D+01 -0.218451D+01  0.259363D+01  0.260117D+01
                71            72            73            74            75 
      1   0.104689D+01  0.549686D+01  0.393357D+01 -0.844709D+00 -0.607097D+01
      2  -0.679373D+00 -0.424411D+01 -0.334375D+01 -0.122194D+00  0.236881D+00
      3  -0.367517D+00 -0.125274D+01 -0.589821D+00  0.966903D+00  0.583409D+01
      4   0.125831D+01  0.984486D+00 -0.475492D+00 -0.117029D+01  0.668836D-01
      5   0.240532D+00 -0.733391D+00 -0.242234D+01  0.149092D+01 -0.386966D+00
      6   0.159490D+01  0.423711D+00  0.159230D+01  0.179041D+01 -0.372944D+00
                76            77            78            79            80 
      1  -0.458908D+01 -0.662701D+01 -0.573185D+01 -0.505752D+01 -0.402257D+01
      2   0.328194D+01 -0.684220D+00 -0.757698D+01  0.317707D+01 -0.635063D+01
      3   0.130714D+01  0.731123D+01  0.133088D+02  0.188045D+01  0.103732D+02
      4   0.561166D+00 -0.105862D+02 -0.101217D+02 -0.369287D+00 -0.969763D+01
      5   0.643965D+01 -0.820117D+01 -0.151561D+02  0.603629D+01 -0.710167D+01
      6  -0.163383D+00  0.688181D+01  0.718344D+01 -0.197603D+00  0.663074D+01
                81            82            83            84            85 
      1  -0.137077D+02  0.297855D+01  0.166232D+02  0.572697D+01 -0.615634D+01
      2  -0.123203D+02 -0.482768D+01 -0.114191D+02 -0.120011D+00  0.134405D+02
      3   0.260280D+02  0.184913D+01 -0.520403D+01 -0.560696D+01 -0.728415D+01
      4  -0.907482D+01  0.598076D+01 -0.145711D+02 -0.806537D+00 -0.143818D+00
      5  -0.203928D+02  0.450534D+01 -0.151743D+01 -0.226104D+01  0.366983D+01
      6   0.473657D+01  0.248111D+01 -0.173295D+01 -0.695941D+01  0.790899D+01
                86            87            88            89            90 
      1  -0.401775D+00  0.415317D+01 -0.164907D+01  0.626920D+01 -0.141942D+02
      2  -0.326363D+01 -0.376620D+01  0.675785D+01 -0.854474D+01  0.223090D+01
      3   0.366541D+01 -0.386969D+00 -0.510879D+01  0.227554D+01  0.119633D+02
      4   0.138872D+02  0.268033D+01  0.239928D+01  0.245792D-01  0.366840D+01
      5   0.239591D+01 -0.461084D+00  0.496010D+01  0.314391D+01 -0.152291D+01
      6  -0.558036D+01  0.547793D+01 -0.147678D+01  0.123824D+02 -0.163864D+00
                91            92            93            94            95 
      1   0.599028D+01 -0.217913D+02 -0.295192D+01  0.243123D+02  0.111244D+02
      2  -0.456094D+01  0.140460D+02  0.723717D+00 -0.221755D+02 -0.138650D+02
      3  -0.142934D+01  0.774532D+01  0.222820D+01 -0.213676D+01  0.274069D+01
      4  -0.116450D+02 -0.545385D+01 -0.447940D+01  0.997788D+01 -0.305113D+01
      5  -0.713364D+01 -0.278743D+01 -0.335486D+01  0.671891D+00 -0.832515D+01
      6  -0.537190D+01 -0.235188D+01  0.433667D+01 -0.648598D+01 -0.122914D+02
                96            97            98            99           100 
      1   0.322144D+01  0.511567D+01 -0.110759D+01 -0.597429D+01 -0.120055D+02
      2  -0.825006D+01 -0.903903D+01 -0.842456D+01 -0.617123D+01  0.706990D+01
      3   0.502862D+01  0.392337D+01  0.953215D+01  0.121455D+02  0.493555D+01
      4  -0.794942D+01 -0.491764D+01 -0.116233D+02  0.131970D+02 -0.245647D+01
      5   0.123847D+02  0.131555D+02  0.134738D+02  0.107918D+02 -0.658554D+01
      6   0.576888D+01  0.465989D+01  0.130437D+02  0.419413D+01  0.525335D+00
               101           102           103           104           105 
      1  -0.268552D+01 -0.776047D+01  0.827022D+01 -0.195347D+02 -0.838992D+01
      2   0.231901D+01  0.337215D+01 -0.603732D+01  0.168118D+02  0.121571D+02
      3   0.366509D+00  0.438832D+01 -0.223290D+01  0.272299D+01 -0.376714D+01
      4   0.253781D+02  0.760094D-01 -0.202430D+02 -0.500421D+01 -0.459287D+01
      5  -0.126207D+00  0.215172D+02 -0.147964D+02 -0.181442D+01  0.998110D+00
      6   0.590435D+00  0.254436D+01 -0.332307D+01  0.452690D+01 -0.544438D+01
               106           107           108           109           110 
      1  -0.676128D+01 -0.908747D+01  0.131784D+02  0.652430D+00  0.235029D+02
      2   0.143450D+01  0.647555D+01 -0.165169D+02 -0.407993D+01 -0.141500D+02
      3   0.532678D+01  0.261192D+01  0.333855D+01  0.342750D+01 -0.935294D+01
      4  -0.150624D+02 -0.646620D+00  0.329803D+00  0.178861D+02  0.318548D+01
      5   0.347432D+02  0.190392D+01  0.662488D+01 -0.768849D+00  0.190170D+01
      6   0.658628D+00  0.708057D+01 -0.519561D+01  0.128949D+01 -0.153055D+01
               111           112           113           114           115 
      1   0.646231D+01 -0.279618D+02  0.375638D+01  0.128825D+01 -0.978378D+01
      2   0.115562D+01  0.267686D+02 -0.742117D+01 -0.178457D+01  0.113977D+02
      3  -0.761793D+01  0.119312D+01  0.366478D+01  0.496321D+00 -0.161390D+01
      4   0.409751D+01  0.424595D+01  0.107339D+02  0.118861D+02 -0.426464D+00
      5   0.535165D+01 -0.597822D+01  0.997451D+01 -0.135471D+02  0.191164D+02
      6  -0.758774D+01  0.878967D+01 -0.752266D+01  0.617986D+01 -0.598784D+01
               116           117           118           119           120 
      1   0.585750D+01  0.214051D+01  0.942519D+01 -0.114898D+02  0.404894D+00
      2  -0.990434D+01 -0.850791D+01 -0.671980D+01  0.882394D+01 -0.293045D+01
      3   0.404684D+01  0.636741D+01 -0.270539D+01  0.266585D+01  0.252556D+01
      4   0.102046D+02 -0.139340D+02 -0.888018D+01 -0.201385D+02 -0.475175D+01
      5  -0.139849D+02 -0.104733D+02  0.285013D+01 -0.348447D+01 -0.559747D+01
      6   0.120841D+02 -0.751587D+00 -0.232382D+01 -0.325789D+01  0.572340D+01
               121           122           123           124           125 
      1   0.446853D+01  0.737794D+01  0.555854D+01  0.300194D+01  0.330819D+01
      2  -0.107864D+02 -0.977403D+01 -0.796568D+01 -0.530581D+01 -0.103260D+02
      3   0.631791D+01  0.239609D+01  0.240714D+01  0.230388D+01  0.701776D+01
      4   0.124169D+02 -0.132781D+02 -0.287521D+01 -0.887604D+00 -0.439599D+01
      5  -0.154988D+01 -0.320841D+01 -0.833435D+00  0.157974D+01 -0.599369D+01
      6  -0.725874D+01 -0.115873D+02  0.309397D+01  0.144322D+01  0.108604D+02
               126           127           128           129           130 
      1  -0.156633D+02 -0.485695D+01  0.797925D+01  0.864906D+00  0.909728D+01
      2  -0.116351D+01  0.693907D+01 -0.111861D+02 -0.113595D+01 -0.118057D+02
      3   0.168268D+02 -0.208212D+01  0.320684D+01  0.271040D+00  0.270845D+01
      4  -0.740749D+01 -0.850160D+01  0.829536D+01  0.105844D+01  0.770482D+01
      5  -0.610433D+01 -0.677807D+00  0.127558D+01  0.138893D+01  0.130207D+01
      6   0.474462D+01  0.900597D+00 -0.121608D+01 -0.210180D+01 -0.236379D+01
               131           132           133           134           135 
      1  -0.225911D+02 -0.367182D+01  0.139539D+01 -0.386858D+01 -0.902699D+00
      2   0.302349D+02  0.310765D+01 -0.203145D+01  0.480136D+01  0.157204D+01
      3  -0.764382D+01  0.564169D+00  0.636059D+00 -0.932778D+00 -0.669342D+00
      4  -0.879126D+01 -0.103483D+01  0.101234D+01 -0.131010D+01 -0.170885D+01
      5  -0.138923D+01 -0.137330D+01  0.982710D+00 -0.667921D+00 -0.738355D+00
      6   0.500903D+01  0.520373D+01 -0.107080D+01  0.214222D+01  0.122693D+01
               136           137           138           139           140 
      1   0.620182D+01  0.526438D+01  0.123612D+01 -0.760159D+00 -0.142714D+02
      2   0.288050D+01  0.472487D+01  0.391653D+00  0.112337D+02  0.348813D+02
      3  -0.908232D+01 -0.998925D+01 -0.162777D+01 -0.104736D+02 -0.206100D+02
      4   0.200785D+02  0.243423D+02  0.621090D+01  0.252065D+02  0.465759D+02
      5   0.542295D+01  0.618475D+01  0.541265D+01  0.630527D+01  0.108795D+02
      6   0.413248D+01  0.476199D+01  0.317581D+01  0.628881D+01  0.143634D+02
               141           142           143           144           145 
      1  -0.362707D+01  0.567608D+00 -0.283799D+01 -0.158900D+01  0.101696D+03
      2   0.581196D+01  0.210189D+01  0.766517D+01  0.276550D+01 -0.576475D+02
      3  -0.218489D+01 -0.266950D+01 -0.482717D+01 -0.117650D+01 -0.440488D+02
      4   0.110895D+02  0.739863D+01  0.130433D+02  0.427682D+01  0.954875D+01
      5   0.637958D+01  0.266079D+01  0.372953D+01  0.260032D+01  0.127788D+02
      6   0.932076D+01  0.258341D+01  0.532063D+01  0.368494D+01 -0.238417D+01
               146           147           148           149           150 
      1   0.678780D+01  0.828114D+01  0.467899D+01  0.944366D+01  0.211482D+01
      2  -0.339077D+01 -0.556867D+01 -0.206656D+01 -0.445523D+01 -0.186795D+01
      3  -0.339702D+01 -0.271247D+01 -0.261244D+01 -0.498842D+01 -0.246865D+00
      4   0.881053D+01  0.635323D+00  0.152942D+02  0.299350D+01  0.154038D+01
      5   0.727169D+00  0.100954D+02  0.413703D+01  0.178918D+01  0.120332D+01
      6   0.407713D+00  0.197610D+00  0.108646D+01 -0.162660D+00  0.164362D+01
               151           152           153           154           155 
      1   0.103616D+02  0.239864D+01  0.322428D+01  0.197092D+02 -0.128803D+02
      2  -0.585524D+01 -0.135254D+01 -0.190545D+01 -0.243964D+01 -0.187028D+01
      3  -0.450631D+01 -0.104610D+01 -0.131883D+01 -0.172696D+02  0.147506D+02
      4   0.453302D+01  0.160733D+01  0.845304D+00 -0.324337D+02  0.308625D+02
      5   0.298707D+01  0.544684D+00  0.182688D+01 -0.608699D+01  0.446467D+01
      6   0.138536D+00  0.608524D+00  0.598388D+00  0.219933D+01 -0.197625D+01
               156           157           158           159           160 
      1  -0.252164D+01 -0.768275D+01  0.186535D+01  0.431726D+00 -0.344046D+00
      2   0.648325D+00 -0.752615D+01  0.188121D+02  0.141470D+01 -0.180031D+01
      3   0.187332D+01  0.152089D+02 -0.206774D+02 -0.184643D+01  0.214436D+01
      4   0.440934D+01  0.336863D+02 -0.452820D+02 -0.824873D+01  0.590341D+01
      5   0.571740D+01  0.691219D+01 -0.857835D+01 -0.574737D+01  0.235186D+01
      6  -0.285784D+01 -0.449912D+01  0.651755D+01  0.601668D+01 -0.166393D+01
               161           162           163           164           165 
      1  -0.702110D+00 -0.164465D+00 -0.529558D+01 -0.819776D+01 -0.333350D+01
      2   0.383543D+01  0.116867D+01  0.631620D+01  0.946696D+01  0.242911D+01
      3  -0.313332D+01 -0.100420D+01 -0.102061D+01 -0.126919D+01  0.904390D+00
      4  -0.804118D+01 -0.289340D+01  0.426903D+01  0.737589D+01  0.174145D+01
      5  -0.220657D+01 -0.134125D+01  0.123515D+01  0.150976D+01  0.204095D+01
      6   0.243334D+01  0.204977D+01  0.318754D+01  0.470770D+01  0.272583D+01
               166           167           168           169           170 
      1  -0.828380D+01 -0.310679D+02 -0.962495D+01 -0.290013D+01 -0.910500D+01
      2   0.968367D+01  0.390562D+02  0.869137D+01  0.328554D+01  0.104937D+02
      3  -0.139986D+01 -0.798825D+01  0.933584D+00 -0.385416D+00 -0.138869D+01
      4   0.515787D+01  0.578522D+00 -0.411377D+00  0.187178D+01  0.702424D+00
      5   0.111601D+01 -0.521529D+00  0.243460D+00  0.118008D+01  0.561933D+00
      6   0.390487D+01  0.146451D+02  0.931697D+01  0.154496D+01  0.585380D+01
               171 
      1  -0.396368D+01
      2   0.399116D+01
      3  -0.274718D-01
      4   0.158906D+01
      5   0.888897D+00
      6   0.422684D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:01:05 2021, MaxMem=  5368709120 cpu:            7388.3 elap:             926.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15442 -10.24445 -10.19258 -10.18821 -10.18718
 Alpha  occ. eigenvalues --  -10.18659 -10.18588 -10.18477 -10.18219  -1.03480
 Alpha  occ. eigenvalues --   -0.86297  -0.78592  -0.74941  -0.73041  -0.64638
 Alpha  occ. eigenvalues --   -0.61114  -0.58151  -0.51867  -0.51357  -0.46654
 Alpha  occ. eigenvalues --   -0.45458  -0.44170  -0.43733  -0.42110  -0.39820
 Alpha  occ. eigenvalues --   -0.38811  -0.36479  -0.35892  -0.34282  -0.33117
 Alpha  occ. eigenvalues --   -0.28872  -0.25619  -0.24850
 Alpha virt. eigenvalues --   -0.01686  -0.01458  -0.01199  -0.00160   0.00641
 Alpha virt. eigenvalues --    0.01212   0.02107   0.02449   0.03969   0.04139
 Alpha virt. eigenvalues --    0.05002   0.05233   0.05651   0.06690   0.07505
 Alpha virt. eigenvalues --    0.08606   0.08994   0.09283   0.09752   0.09925
 Alpha virt. eigenvalues --    0.10088   0.10387   0.10744   0.10895   0.11236
 Alpha virt. eigenvalues --    0.11791   0.12233   0.12944   0.13267   0.13478
 Alpha virt. eigenvalues --    0.14099   0.14275   0.14765   0.15404   0.15579
 Alpha virt. eigenvalues --    0.16476   0.17614   0.18574   0.19030   0.20030
 Alpha virt. eigenvalues --    0.20470   0.21598   0.22170   0.22452   0.22557
 Alpha virt. eigenvalues --    0.23800   0.24238   0.24749   0.25216   0.25380
 Alpha virt. eigenvalues --    0.25548   0.26263   0.26555   0.27136   0.27494
 Alpha virt. eigenvalues --    0.28899   0.28906   0.29408   0.30440   0.31027
 Alpha virt. eigenvalues --    0.31350   0.31900   0.32213   0.32790   0.33266
 Alpha virt. eigenvalues --    0.34224   0.34738   0.34882   0.36864   0.36934
 Alpha virt. eigenvalues --    0.37817   0.38888   0.39419   0.40787   0.41229
 Alpha virt. eigenvalues --    0.42047   0.42443   0.43589   0.44189   0.44624
 Alpha virt. eigenvalues --    0.44976   0.45650   0.46838   0.47483   0.48457
 Alpha virt. eigenvalues --    0.49599   0.49957   0.50432   0.51365   0.52705
 Alpha virt. eigenvalues --    0.53046   0.53296   0.54221   0.55071   0.55488
 Alpha virt. eigenvalues --    0.56285   0.56843   0.57028   0.58095   0.58629
 Alpha virt. eigenvalues --    0.58891   0.59568   0.60518   0.60855   0.61672
 Alpha virt. eigenvalues --    0.62243   0.63181   0.64035   0.65080   0.65203
 Alpha virt. eigenvalues --    0.65459   0.66108   0.66934   0.67490   0.68463
 Alpha virt. eigenvalues --    0.69599   0.70422   0.72313   0.72843   0.73501
 Alpha virt. eigenvalues --    0.74501   0.76473   0.76499   0.77657   0.78013
 Alpha virt. eigenvalues --    0.78321   0.78501   0.78748   0.79701   0.80801
 Alpha virt. eigenvalues --    0.82734   0.82975   0.84054   0.84985   0.87195
 Alpha virt. eigenvalues --    0.87444   0.89053   0.90201   0.91296   0.93210
 Alpha virt. eigenvalues --    0.94604   0.95398   0.97115   0.98459   0.99896
 Alpha virt. eigenvalues --    1.01614   1.05056   1.06359   1.08114   1.10595
 Alpha virt. eigenvalues --    1.11629   1.13030   1.15016   1.17709   1.19399
 Alpha virt. eigenvalues --    1.22724   1.28877   1.30053   1.30640   1.30953
 Alpha virt. eigenvalues --    1.32624   1.34026   1.35548   1.36694   1.37251
 Alpha virt. eigenvalues --    1.38562   1.40268   1.40758   1.42496   1.43223
 Alpha virt. eigenvalues --    1.44096   1.45269   1.46586   1.47536   1.49725
 Alpha virt. eigenvalues --    1.50407   1.50825   1.52139   1.53968   1.54871
 Alpha virt. eigenvalues --    1.56762   1.59350   1.61463   1.63116   1.63988
 Alpha virt. eigenvalues --    1.65612   1.66691   1.67591   1.68243   1.70643
 Alpha virt. eigenvalues --    1.71265   1.71647   1.72938   1.74143   1.76385
 Alpha virt. eigenvalues --    1.77863   1.79476   1.80618   1.81760   1.82877
 Alpha virt. eigenvalues --    1.85262   1.85661   1.86281   1.86918   1.90443
 Alpha virt. eigenvalues --    1.91231   1.93571   1.94592   1.95319   1.97174
 Alpha virt. eigenvalues --    1.99484   2.00295   2.01474   2.03991   2.04955
 Alpha virt. eigenvalues --    2.06433   2.07436   2.09177   2.11146   2.12006
 Alpha virt. eigenvalues --    2.12467   2.14042   2.16550   2.17963   2.20948
 Alpha virt. eigenvalues --    2.23671   2.26362   2.28811   2.29189   2.31798
 Alpha virt. eigenvalues --    2.34477   2.36163   2.43454   2.45839   2.46815
 Alpha virt. eigenvalues --    2.49173   2.51551   2.52453   2.54607   2.55824
 Alpha virt. eigenvalues --    2.62117   2.65714   2.68369   2.72851   2.75750
 Alpha virt. eigenvalues --    2.76906   2.79972   2.82208   2.84089   2.87195
 Alpha virt. eigenvalues --    2.99658   3.01230   3.03906   3.07244   3.16025
 Alpha virt. eigenvalues --    3.36827   3.40975   3.46644   3.48450   3.51580
 Alpha virt. eigenvalues --    3.57091   3.63268   4.03181   4.50643
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.655060  -0.638438   0.292994  -0.005396   0.010631   0.046391
     2  C   -0.638438  10.838555   0.019220  -1.144006   0.261550  -1.121267
     3  H    0.292994   0.019220   0.672987  -0.040333  -0.041295   0.030161
     4  H   -0.005396  -1.144006  -0.040333   2.275546   0.102843   0.140309
     5  C    0.010631   0.261550  -0.041295   0.102843   4.311726   0.331864
     6  C    0.046391  -1.121267   0.030161   0.140309   0.331864  20.607188
     7  H   -0.009988   0.222819   0.018441  -0.103548   0.153516  -0.254193
     8  H    0.029853  -0.210994  -0.016250  -0.044471   0.046895   0.543004
     9  H    0.036680  -0.154318  -0.013021   0.124555   0.262305  -0.353629
    10  C    0.361596  -0.877234  -0.061917  -0.101830  -0.412180 -10.130089
    11  C   -0.072719  -0.226049   0.008273  -0.041190   0.270678   5.472626
    12  C    0.033052   0.109268  -0.001977   0.021261  -0.191740  -5.895292
    13  C   -0.066891  -0.357670   0.002821   0.056650   0.293959   5.441736
    14  C    0.081408  -1.900325  -0.024119   0.343008  -0.462449 -11.199991
    15  H   -0.120113   0.236343   0.005049   0.020727   0.046521   0.817483
    16  H   -0.000802   0.062587   0.000222   0.001699  -0.006125  -0.451093
    17  H    0.001136  -0.021002  -0.000072   0.000182   0.000166   0.167106
    18  H   -0.001488   0.032789   0.000265   0.003560  -0.004184  -0.482083
    19  H   -0.000169   0.043374  -0.003358  -0.050957   0.084280   1.017411
               7          8          9         10         11         12
     1  O   -0.009988   0.029853   0.036680   0.361596  -0.072719   0.033052
     2  C    0.222819  -0.210994  -0.154318  -0.877234  -0.226049   0.109268
     3  H    0.018441  -0.016250  -0.013021  -0.061917   0.008273  -0.001977
     4  H   -0.103548  -0.044471   0.124555  -0.101830  -0.041190   0.021261
     5  C    0.153516   0.046895   0.262305  -0.412180   0.270678  -0.191740
     6  C   -0.254193   0.543004  -0.353629 -10.130089   5.472626  -5.895292
     7  H    1.897938  -0.368953  -0.281622  -0.036794  -0.015639   0.006337
     8  H   -0.368953   2.011433  -0.446091  -0.055965   0.035707  -0.015620
     9  H   -0.281622  -0.446091   1.790623   0.153867  -0.089213   0.034590
    10  C   -0.036794  -0.055965   0.153867  22.577124  -8.407142   5.680364
    11  C   -0.015639   0.035707  -0.089213  -8.407142  16.239427  -6.582529
    12  C    0.006337  -0.015620   0.034590   5.680364  -6.582529  13.813066
    13  C    0.012933   0.020540  -0.033416  -6.595455   6.222618  -6.712111
    14  C    0.083947  -0.148707   0.217401   4.480653  -6.765709   5.905057
    15  H    0.018451   0.002314  -0.040446  -2.617579   1.038341  -0.304987
    16  H   -0.002840   0.001366  -0.002406   1.430133  -2.195107   0.749573
    17  H    0.000195  -0.000096   0.001079  -0.227935   0.871215  -1.899691
    18  H   -0.000808   0.001100  -0.002202   0.263266  -0.434058   0.829466
    19  H   -0.042611  -0.002963   0.022658  -0.216513   0.175896  -0.307478
              13         14         15         16         17         18
     1  O   -0.066891   0.081408  -0.120113  -0.000802   0.001136  -0.001488
     2  C   -0.357670  -1.900325   0.236343   0.062587  -0.021002   0.032789
     3  H    0.002821  -0.024119   0.005049   0.000222  -0.000072   0.000265
     4  H    0.056650   0.343008   0.020727   0.001699   0.000182   0.003560
     5  C    0.293959  -0.462449   0.046521  -0.006125   0.000166  -0.004184
     6  C    5.441736 -11.199991   0.817483  -0.451093   0.167106  -0.482083
     7  H    0.012933   0.083947   0.018451  -0.002840   0.000195  -0.000808
     8  H    0.020540  -0.148707   0.002314   0.001366  -0.000096   0.001100
     9  H   -0.033416   0.217401  -0.040446  -0.002406   0.001079  -0.002202
    10  C   -6.595455   4.480653  -2.617579   1.430133  -0.227935   0.263266
    11  C    6.222618  -6.765709   1.038341  -2.195107   0.871215  -0.434058
    12  C   -6.712111   5.905057  -0.304987   0.749573  -1.899691   0.829466
    13  C   15.860545  -7.894505   0.234641  -0.469895   0.816723  -2.092555
    14  C   -7.894505  24.328393  -0.445242   0.257792  -0.285837   1.270503
    15  H    0.234641  -0.445242   3.352324  -0.209439  -0.028394   0.022300
    16  H   -0.469895   0.257792  -0.209439   2.803516  -0.159495  -0.037295
    17  H    0.816723  -0.285837  -0.028394  -0.159495   2.715828  -0.151693
    18  H   -2.092555   1.270503   0.022300  -0.037295  -0.151693   2.786334
    19  H    0.793202  -2.633710  -0.063536   0.019524  -0.028646  -0.218438
              19
     1  O   -0.000169
     2  C    0.043374
     3  H   -0.003358
     4  H   -0.050957
     5  C    0.084280
     6  C    1.017411
     7  H   -0.042611
     8  H   -0.002963
     9  H    0.022658
    10  C   -0.216513
    11  C    0.175896
    12  C   -0.307478
    13  C    0.793202
    14  C   -2.633710
    15  H   -0.063536
    16  H    0.019524
    17  H   -0.028646
    18  H   -0.218438
    19  H    3.467581
 Mulliken charges:
               1
     1  O   -0.632797
     2  C    0.824796
     3  H    0.151908
     4  H   -0.558611
     5  C    0.941040
     6  C    1.272359
     7  H   -0.297581
     8  H   -0.382102
     9  H   -0.227396
    10  C    0.793629
    11  C    0.494574
    12  C    0.729392
    13  C    0.466127
    14  C    0.792435
    15  H   -0.964757
    16  H   -0.791917
    17  H   -0.770771
    18  H   -0.784779
    19  H   -1.055548
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.480889
     2  C    0.266185
     5  C    0.033961
     6  C    1.272359
    10  C   -0.171128
    11  C   -0.297343
    12  C   -0.041379
    13  C   -0.318652
    14  C   -0.263113
 Electronic spatial extent (au):  <R**2>=           1266.9726
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0990    Y=             -1.1841    Z=              0.5842  Tot=              1.7179
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -45.7083   YY=            -53.1156   ZZ=            -58.4780
   XY=              1.4903   XZ=              0.0862   YZ=              2.6163
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.7257   YY=             -0.6816   ZZ=             -6.0441
   XY=              1.4903   XZ=              0.0862   YZ=              2.6163
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -30.0306  YYY=              2.0947  ZZZ=             -1.4825  XYY=              1.6030
  XXY=              2.4966  XXZ=             -2.0433  XZZ=             -7.5053  YZZ=             -0.2162
  YYZ=              0.3950  XYZ=              0.5889
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1020.6543 YYYY=           -369.7025 ZZZZ=           -173.7066 XXXY=            -29.4975
 XXXZ=             30.7405 YYYX=             -6.3199 YYYZ=              7.8496 ZZZX=              4.5185
 ZZZY=             -0.7171 XXYY=           -253.1234 XXZZ=           -240.1735 YYZZ=            -96.3239
 XXYZ=              5.5980 YYXZ=              1.7981 ZZXY=             -0.2919
 N-N= 4.258582215547D+02 E-N=-1.749610362269D+03  KE= 3.838806697823D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:01:06 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6173   -0.6174        0.6473    0.6457
 2      0.6173    0.6174       -3.2325   -3.2316      -13.2523  -13.2561
 3     -0.6473   -0.6457       29.7216   29.7211        3.2298    3.2316
 4      3.2325    3.2316        0.0000    0.0000       -0.6460   -0.6457
 5    -16.4693  -16.4650        0.6460    0.6457       -0.6181   -0.6174
 6     -3.2298   -3.2316        0.6181    0.6174       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.8521    1.8521        1.9372    1.9372
 2      9.6948    9.6948       -0.0000    0.0000        1.9372    1.9372
 3      9.6948    9.6948        1.8521    1.8521        0.0000    0.0000
 4      1.8521    1.8521       -9.6948   -9.6948      -39.7684  -39.7684
 5     -1.9372   -1.9372       89.1633   89.1633        9.6948    9.6948
 6    -49.3949  -49.3949        1.9372    1.9372       -1.8521   -1.8521
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0430    0.0000        2.4744    2.4695       -2.5120   -2.5830
 2     -2.4941   -2.4695       12.9878   12.9265       53.1473   53.0245
 3      2.4295    2.5830     -118.8128 -118.8843      -12.9807  -12.9265
 4    -12.9162  -12.9265       -0.0994    0.0000        2.5772    2.5830
 5     65.7892   65.8599       -2.5746   -2.5830        2.4514    2.4695
 6     13.0192   12.9265       -2.9138   -2.4695       -0.0223    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1450    0.0000        0.6803    0.6919      -11.2340  -10.8686
 2     -0.8303   -0.6919      -43.2682  -43.2326      -30.8660  -30.9107
 3     11.0380   10.8686      -24.4280  -24.3327       43.5408   43.2326
 4     43.2337   43.2326        0.1346    0.0000       10.4698   10.8686
 5     55.4636   55.2434      -11.4359  -10.8686        0.9314    0.6919
 6    -43.2533  -43.2326       -0.7169   -0.6919        0.2542    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     19.8818   19.9749        3.1418    3.0445       21.5571   21.6641
 2     85.6447   85.8577       -5.6788   -5.8163       21.3436   21.6641
 3     85.5593   85.8577        3.2055    3.0445       18.9133   19.1087
 4      8.7021    8.8608      -65.5443  -65.8828      -39.2648  -39.4650
 5     -2.4210   -2.5554      -48.3369  -48.3823       65.9036   65.8828
 6     88.1899   87.8473        1.7179    2.5554       -9.1478   -8.8608
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.6460                 3.8486                 0.2119
  Dep-P Fr= 1--      0.7499                 0.7279                 0.5043
  Dep-U Fr= 1--      0.8571                 0.8425                 0.6705
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0010
 Beta2  Fr= 1--      0.5208                 0.5404                 0.0237
 AlphaG Fr= 1--     -0.0000                 0.0028                -0.0013
 Gamma2 Fr= 1--     -0.6165                -0.5238                -0.1281
 Delta2 Fr= 1--     -0.7208                -0.2210                -0.0422
 Raman1 Fr= 1--      14.584                 15.395                  0.847
 ROA1   Fr= 1--     -82.248                -57.360                -13.651
 CID1   Fr= 1--      -5.640                 -3.726                -16.108
 Raman2 Fr= 1--       6.250                  6.485                  0.284
 ROA2   Fr= 1--      -9.029                -10.804                 -2.737
 CID2   Fr= 1--      -1.445                 -1.666                 -9.633
 Raman3 Fr= 1--      12.500                 12.970                  0.568
 ROA3   Fr= 1--     -82.248                -57.360                -13.651
 CID3   Fr= 1--      -6.580                 -4.423                -24.025
 RC180  Fr= 1--       0.714                  0.685                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.5653                 0.2279                 1.4586
  Dep-P Fr= 1--      0.7122                 0.7346                 0.2039
  Dep-U Fr= 1--      0.8319                 0.8470                 0.3388
 Alpha2 Fr= 1--      0.0010                 0.0001                 0.0196
 Beta2  Fr= 1--      0.2170                 0.0322                 0.0824
 AlphaG Fr= 1--     -0.0032                 0.0006                -0.0019
 Gamma2 Fr= 1--      0.6341                 0.2914                -0.4323
 Delta2 Fr= 1--      0.2314                -0.0872                -0.0007
 Raman1 Fr= 1--       6.261                  0.912                  5.834
 ROA1   Fr= 1--      68.275                 25.187                -41.521
 CID1   Fr= 1--      10.904                 27.632                 -7.117
 Raman2 Fr= 1--       2.604                  0.386                  0.988
 ROA2   Fr= 1--      13.366                  7.692                -10.369
 CID2   Fr= 1--       5.132                 19.925                -10.492
 Raman3 Fr= 1--       5.209                  0.772                  1.977
 ROA3   Fr= 1--      68.275                 25.187                -41.521
 CID3   Fr= 1--      13.108                 32.623                -21.007
 RC180  Fr= 1--       0.664                  0.694                 -0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.4505                 0.0171                 3.0384
  Dep-P Fr= 1--      0.5037                 0.6486                 0.0852
  Dep-U Fr= 1--      0.6699                 0.7868                 0.1570
 Alpha2 Fr= 1--      0.0070                 0.0000                 0.0552
 Beta2  Fr= 1--      0.1619                 0.0022                 0.0795
 AlphaG Fr= 1--     -0.0059                -0.0014                -0.0014
 Gamma2 Fr= 1--      0.1874                -0.1576                 0.2225
 Delta2 Fr= 1--     -0.0043                -0.0276                -0.0524
 Raman1 Fr= 1--       5.802                  0.068                 12.154
 ROA1   Fr= 1--      17.856                -16.013                 19.686
 CID1   Fr= 1--       3.078               -234.053                  1.620
 Raman2 Fr= 1--       1.943                  0.027                  0.954
 ROA2   Fr= 1--       4.533                 -3.561                  5.760
 CID2   Fr= 1--       2.332               -132.314                  6.037
 Raman3 Fr= 1--       3.887                  0.054                  1.908
 ROA3   Fr= 1--      17.856                -16.013                 19.686
 CID3   Fr= 1--       4.594               -297.469                 10.316
 RC180  Fr= 1--       0.340                  0.574                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.7739                 0.8174                 4.2688
  Dep-P Fr= 1--      0.2170                 0.7491                 0.7475
  Dep-U Fr= 1--      0.3566                 0.8565                 0.8555
 Alpha2 Fr= 1--      0.0100                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0460                 0.1167                 0.6086
 AlphaG Fr= 1--     -0.0027                 0.0003                -0.0027
 Gamma2 Fr= 1--      0.1078                 0.0950                -0.0098
 Delta2 Fr= 1--     -0.0536                 0.0649                -0.0432
 Raman1 Fr= 1--       3.096                  3.270                 17.075
 ROA1   Fr= 1--       8.633                 11.195                 -2.323
 CID1   Fr= 1--       2.789                  3.424                 -0.136
 Raman2 Fr= 1--       0.552                  1.400                  7.304
 ROA2   Fr= 1--       3.016                  1.761                  0.111
 CID2   Fr= 1--       5.465                  1.257                  0.015
 Raman3 Fr= 1--       1.104                  2.801                 14.608
 ROA3   Fr= 1--       8.633                 11.195                 -2.323
 CID3   Fr= 1--       7.820                  3.997                 -0.159
 RC180  Fr= 1--      -0.287                  0.713                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.1746                 8.5326                 8.5267
  Dep-P Fr= 1--      0.2760                 0.0419                 0.0725
  Dep-U Fr= 1--      0.4326                 0.0805                 0.1352
 Alpha2 Fr= 1--      0.0019                 0.1718                 0.1596
 Beta2  Fr= 1--      0.0126                 0.1145                 0.1922
 AlphaG Fr= 1--      0.0002                -0.0466                 0.0101
 Gamma2 Fr= 1--     -0.0489                 0.6321                 0.8739
 Delta2 Fr= 1--      0.0047                 0.3204                 0.0753
 Raman1 Fr= 1--       0.699                 34.130                 34.107
 ROA1   Fr= 1--      -4.544                 70.934                 86.307
 CID1   Fr= 1--      -6.506                  2.078                  2.530
 Raman2 Fr= 1--       0.151                  1.374                  2.306
 ROA2   Fr= 1--      -1.211                 12.607                 20.372
 CID2   Fr= 1--      -8.014                  9.178                  8.833
 Raman3 Fr= 1--       0.302                  2.747                  4.613
 ROA3   Fr= 1--      -4.544                 70.934                 86.307
 CID3   Fr= 1--     -15.039                 25.822                 18.711
 RC180  Fr= 1--      -0.135                 -0.839                 -0.730
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      1.9141                 4.3647                 1.6143
  Dep-P Fr= 1--      0.7114                 0.7446                 0.4120
  Dep-U Fr= 1--      0.8314                 0.8536                 0.5836
 Alpha2 Fr= 1--      0.0013                 0.0004                 0.0115
 Beta2  Fr= 1--      0.2652                 0.6209                 0.1570
 AlphaG Fr= 1--      0.0005                -0.0038                -0.0167
 Gamma2 Fr= 1--     -0.3022                -1.3065                -1.3488
 Delta2 Fr= 1--     -0.0699                -1.2427                 0.0386
 Raman1 Fr= 1--       7.657                 17.459                  6.457
 ROA1   Fr= 1--     -31.250               -165.187               -128.254
 CID1   Fr= 1--      -4.081                 -9.462                -19.862
 Raman2 Fr= 1--       3.183                  7.451                  1.884
 ROA2   Fr= 1--      -6.695                -21.413                -32.681
 CID2   Fr= 1--      -2.103                 -2.874                -17.346
 Raman3 Fr= 1--       6.365                 14.902                  3.768
 ROA3   Fr= 1--     -31.250               -165.187               -128.254
 CID3   Fr= 1--      -4.909                -11.085                -34.037
 RC180  Fr= 1--       0.663                  0.707                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0557                 0.3445                26.3282
  Dep-P Fr= 1--      0.6541                 0.2050                 0.1528
  Dep-U Fr= 1--      0.7909                 0.3402                 0.2651
 Alpha2 Fr= 1--      0.0001                 0.0046                 0.4041
 Beta2  Fr= 1--      0.0073                 0.0195                 1.1634
 AlphaG Fr= 1--      0.0017                -0.0007                -0.0410
 Gamma2 Fr= 1--      0.2166                 0.3208                 3.1409
 Delta2 Fr= 1--     -0.0644                -0.0926                 3.0922
 Raman1 Fr= 1--       0.223                  1.378                105.313
 ROA1   Fr= 1--      18.734                 27.840                400.473
 CID1   Fr= 1--      84.149                 20.204                  3.803
 Raman2 Fr= 1--       0.088                  0.234                 13.961
 ROA2   Fr= 1--       5.713                  8.441                 50.643
 CID2   Fr= 1--      64.893                 36.008                  3.627
 Raman3 Fr= 1--       0.176                  0.469                 27.922
 ROA3   Fr= 1--      18.734                 27.840                400.473
 CID3   Fr= 1--     106.395                 59.381                 14.343
 RC180  Fr= 1--       0.582                 -0.320                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     39.4765                20.6540                 0.5652
  Dep-P Fr= 1--      0.0515                 0.0353                 0.6928
  Dep-U Fr= 1--      0.0980                 0.0681                 0.8185
 Alpha2 Fr= 1--      0.7770                 0.4225                 0.0006
 Beta2  Fr= 1--      0.6447                 0.2344                 0.0771
 AlphaG Fr= 1--      0.0584                 0.0152                -0.0024
 Gamma2 Fr= 1--     -1.8976                -0.4100                -0.6054
 Delta2 Fr= 1--     -0.7561                -0.3320                -0.7909
 Raman1 Fr= 1--     157.906                 82.616                  2.261
 ROA1   Fr= 1--    -206.368                -49.980                -83.426
 CID1   Fr= 1--      -1.307                 -0.605                -36.899
 Raman2 Fr= 1--       7.736                  2.813                  0.925
 ROA2   Fr= 1--     -39.494                 -7.184                 -8.203
 CID2   Fr= 1--      -5.105                 -2.553                 -8.865
 Raman3 Fr= 1--      15.472                  5.627                  1.851
 ROA3   Fr= 1--    -206.368                -49.980                -83.426
 CID3   Fr= 1--     -13.338                 -8.883                -45.082
 RC180  Fr= 1--      -0.804                 -0.864                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     19.7586                 0.8225                 3.3996
  Dep-P Fr= 1--      0.2111                 0.7496                 0.7286
  Dep-U Fr= 1--      0.3486                 0.8569                 0.8430
 Alpha2 Fr= 1--      0.2605                 0.0000                 0.0012
 Beta2  Fr= 1--      1.1480                 0.1175                 0.4776
 AlphaG Fr= 1--      0.1409                 0.0008                -0.0005
 Gamma2 Fr= 1--     -0.1733                -0.9654                 0.0128
 Delta2 Fr= 1--     -0.3326                -0.3100                 0.1318
 Raman1 Fr= 1--      79.034                  3.290                 13.598
 ROA1   Fr= 1--     -27.279               -102.595                  5.449
 CID1   Fr= 1--      -0.345                -31.184                  0.401
 Raman2 Fr= 1--      13.776                  1.410                  5.732
 ROA2   Fr= 1--      -1.498                -20.688                 -0.746
 CID2   Fr= 1--      -0.109                -14.677                 -0.130
 Raman3 Fr= 1--      27.553                  2.819                 11.463
 ROA3   Fr= 1--     -27.279               -102.595                  5.449
 CID3   Fr= 1--      -0.990                -36.391                  0.475
 RC180  Fr= 1--      -0.303                  0.714                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     12.4755                 4.6678                15.5172
  Dep-P Fr= 1--      0.1154                 0.5268                 0.1146
  Dep-U Fr= 1--      0.2069                 0.6900                 0.2057
 Alpha2 Fr= 1--      0.2103                 0.0202                 0.2621
 Beta2  Fr= 1--      0.4302                 0.5368                 0.5320
 AlphaG Fr= 1--      0.0427                 0.0059                -0.2003
 Gamma2 Fr= 1--      0.8801                -0.2230                -1.3217
 Delta2 Fr= 1--      0.1039                -0.1887                 0.0564
 Raman1 Fr= 1--      49.902                 18.671                 62.069
 ROA1   Fr= 1--      87.809                -27.450               -125.073
 CID1   Fr= 1--       1.760                 -1.470                 -2.015
 Raman2 Fr= 1--       5.162                  6.442                  6.384
 ROA2   Fr= 1--      20.291                 -3.843                -32.171
 CID2   Fr= 1--       3.931                 -0.597                 -5.040
 Raman3 Fr= 1--      10.325                 12.884                 12.767
 ROA3   Fr= 1--      87.809                -27.450               -125.073
 CID3   Fr= 1--       8.505                 -2.131                 -9.796
 RC180  Fr= 1--      -0.586                  0.380                 -0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.3922                12.1434                 3.2672
  Dep-P Fr= 1--      0.3438                 0.3412                 0.2023
  Dep-U Fr= 1--      0.5117                 0.5087                 0.3366
 Alpha2 Fr= 1--      0.0125                 0.1097                 0.0441
 Beta2  Fr= 1--      0.1187                 1.0296                 0.1833
 AlphaG Fr= 1--      0.0335                -0.0169                -0.0024
 Gamma2 Fr= 1--     -0.8624                -2.3953                 1.1010
 Delta2 Fr= 1--     -0.5511                 0.2779                -0.4803
 Raman1 Fr= 1--       5.569                 48.574                 13.069
 ROA1   Fr= 1--    -100.432               -221.057                 90.329
 CID1   Fr= 1--     -18.034                 -4.551                  6.912
 Raman2 Fr= 1--       1.425                 12.356                  2.199
 ROA2   Fr= 1--     -16.290                -59.710                 30.267
 CID2   Fr= 1--     -11.432                 -4.833                 13.762
 Raman3 Fr= 1--       2.850                 24.712                  4.399
 ROA3   Fr= 1--    -100.432               -221.057                 90.329
 CID3   Fr= 1--     -35.242                 -8.945                 20.536
 RC180  Fr= 1--       0.023                  0.017                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      3.3260                 4.8279                 1.6628
  Dep-P Fr= 1--      0.3303                 0.1883                 0.7483
  Dep-U Fr= 1--      0.4965                 0.3169                 0.8560
 Alpha2 Fr= 1--      0.0311                 0.0676                 0.0000
 Beta2  Fr= 1--      0.2752                 0.2550                 0.2372
 AlphaG Fr= 1--      0.0098                 0.0334                 0.0000
 Gamma2 Fr= 1--     -0.1685                 0.6969                 1.6814
 Delta2 Fr= 1--     -0.0175                 0.5441                -0.9748
 Raman1 Fr= 1--      13.304                 19.311                  6.651
 ROA1   Fr= 1--     -16.734                 84.317                130.224
 CID1   Fr= 1--      -1.258                  4.366                 19.579
 Raman2 Fr= 1--       3.303                  3.060                  2.847
 ROA2   Fr= 1--      -3.903                 12.373                 48.153
 CID2   Fr= 1--      -1.182                  4.044                 16.914
 Raman3 Fr= 1--       6.606                  6.119                  5.694
 ROA3   Fr= 1--     -16.734                 84.317                130.224
 CID3   Fr= 1--      -2.533                 13.779                 22.871
 RC180  Fr= 1--      -0.007                 -0.366                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      6.2099                 3.2035                 0.6551
  Dep-P Fr= 1--      0.5961                 0.4625                 0.5013
  Dep-U Fr= 1--      0.7469                 0.6325                 0.6678
 Alpha2 Fr= 1--      0.0177                 0.0187                 0.0032
 Beta2  Fr= 1--      0.7731                 0.3377                 0.0729
 AlphaG Fr= 1--      0.0641                -0.0150                 0.0039
 Gamma2 Fr= 1--      3.3054                -3.0775                -0.0766
 Delta2 Fr= 1--     -0.5377                 0.3410                 0.0176
 Raman1 Fr= 1--      24.840                 12.814                  2.620
 ROA1   Fr= 1--     300.117               -284.529                 -6.787
 CID1   Fr= 1--      12.082                -22.205                 -2.590
 Raman2 Fr= 1--       9.277                  4.052                  0.875
 ROA2   Fr= 1--      83.632                -76.589                 -1.978
 CID2   Fr= 1--       9.015                -18.901                 -2.260
 Raman3 Fr= 1--      18.554                  8.104                  1.750
 ROA3   Fr= 1--     300.117               -284.529                 -6.787
 CID3   Fr= 1--      16.175                -35.109                 -3.879
 RC180  Fr= 1--       0.494                  0.265                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      9.4668                48.4501               119.0471
  Dep-P Fr= 1--      0.7134                 0.6124                 0.2231
  Dep-U Fr= 1--      0.8327                 0.7596                 0.3648
 Alpha2 Fr= 1--      0.0060                 0.1225                 1.5197
 Beta2  Fr= 1--      1.3139                 6.1338                 7.2372
 AlphaG Fr= 1--      0.0411                 0.0355                 1.8551
 Gamma2 Fr= 1--     -0.9374                 0.7365                 9.4332
 Delta2 Fr= 1--      0.1254                -0.2757                 4.4208
 Raman1 Fr= 1--      37.867                193.800                476.188
 ROA1   Fr= 1--     -85.982                 61.881               1047.053
 CID1   Fr= 1--      -2.271                  0.319                  2.199
 Raman2 Fr= 1--      15.767                 73.605                 86.846
 ROA2   Fr= 1--     -23.502                 19.881                191.030
 CID2   Fr= 1--      -1.491                  0.270                  2.200
 Raman3 Fr= 1--      31.533                147.211                173.693
 ROA3   Fr= 1--     -85.982                 61.881               1047.053
 CID3   Fr= 1--      -2.727                  0.420                  6.028
 RC180  Fr= 1--       0.665                  0.519                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    265.5079                99.1891                36.9001
  Dep-P Fr= 1--      0.0747                 0.7439                 0.7099
  Dep-U Fr= 1--      0.1391                 0.8531                 0.8303
 Alpha2 Fr= 1--      4.9427                 0.0103                 0.0256
 Beta2  Fr= 1--      6.1554                14.1038                 5.1066
 AlphaG Fr= 1--     -0.2740                -0.0031                -0.0671
 Gamma2 Fr= 1--      0.0774                -2.6628                -1.9030
 Delta2 Fr= 1--     -0.2383                 0.3726                -2.1602
 Raman1 Fr= 1--    1062.031                396.756                147.601
 ROA1   Fr= 1--      -0.197               -243.706               -251.816
 CID1   Fr= 1--      -0.000                 -0.614                 -1.706
 Raman2 Fr= 1--      73.864                169.245                 61.279
 ROA2   Fr= 1--       3.764                -66.888                -28.390
 CID2   Fr= 1--       0.051                 -0.395                 -0.463
 Raman3 Fr= 1--     147.729                338.490                122.557
 ROA3   Fr= 1--      -0.197               -243.706               -251.816
 CID3   Fr= 1--      -0.001                 -0.720                 -2.055
 RC180  Fr= 1--      -0.722                  0.706                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     54.5208               105.4414                84.7883
  Dep-P Fr= 1--      0.4831                 0.6050                 0.7341
  Dep-U Fr= 1--      0.6515                 0.7539                 0.8466
 Alpha2 Fr= 1--      0.2907                 0.2823                 0.0231
 Beta2  Fr= 1--      5.9197                13.2481                11.9641
 AlphaG Fr= 1--     -0.1805                -0.0508                -0.0347
 Gamma2 Fr= 1--     -1.1729                 0.9231                -0.8842
 Delta2 Fr= 1--      0.5877                 0.4903                 0.5476
 Raman1 Fr= 1--     218.083                421.766                339.153
 ROA1   Fr= 1--     -93.792                104.303                -67.362
 CID1   Fr= 1--      -0.430                  0.247                 -0.199
 Raman2 Fr= 1--      71.037                158.977                143.569
 ROA2   Fr= 1--     -32.852                 18.231                -25.602
 CID2   Fr= 1--      -0.462                  0.115                 -0.178
 Raman3 Fr= 1--     142.074                317.954                287.139
 ROA3   Fr= 1--     -93.792                104.303                -67.362
 CID3   Fr= 1--      -0.660                  0.328                 -0.235
 RC180  Fr= 1--       0.303                  0.508                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    220.2724               132.9726               170.4875
  Dep-P Fr= 1--      0.1219                 0.1467                 0.2378
  Dep-U Fr= 1--      0.2174                 0.2559                 0.3842
 Alpha2 Fr= 1--      3.6536                 2.0727                 2.0902
 Beta2  Fr= 1--      7.9803                 5.6715                10.9181
 AlphaG Fr= 1--     -0.3054                 0.2483                 0.2323
 Gamma2 Fr= 1--     -0.7555                 1.2952                 2.0744
 Delta2 Fr= 1--     -3.5364                 1.7858                -0.9018
 Raman1 Fr= 1--     881.090                531.890                681.950
 ROA1   Fr= 1--    -185.696                181.490                170.283
 CID1   Fr= 1--      -0.211                  0.341                  0.250
 Raman2 Fr= 1--      95.764                 68.058                131.017
 ROA2   Fr= 1--      10.158                 16.799                 56.999
 CID2   Fr= 1--       0.106                  0.247                  0.435
 Raman3 Fr= 1--     191.528                136.115                262.034
 ROA3   Fr= 1--    -185.696                181.490                170.283
 CID3   Fr= 1--      -0.970                  1.333                  0.650
 RC180  Fr= 1--      -0.565                 -0.488                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133813D+03  0.129148D+01  0.123475D+01
      2   0.129148D+01  0.107301D+03  0.646323D+01
      3   0.123475D+01  0.646323D+01  0.743709D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.124449D+01  0.335831D+01  0.731931D+01
      2   0.751026D+01  0.142108D+02 -0.697784D+00
      3  -0.662744D+01 -0.425348D+02 -0.134108D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.846713D+02  0.105969D+02  0.240792D+01
      2  -0.323482D+02 -0.153775D+02 -0.167008D+02
      3  -0.523231D+02  0.478063D+01  0.142929D+02
      4  -0.204688D+02  0.772734D+02  0.347337D+02
      5   0.319072D+02  0.362199D+02 -0.858427D+01
      6   0.135150D+02  0.102431D+02 -0.174243D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.803440D+01  0.285228D+00 -0.117476D+00  0.136459D+01 -0.224054D+01
      2   0.285228D+00  0.738375D+00  0.501446D+00 -0.224054D+01  0.304082D+01
      3  -0.117476D+00  0.501446D+00  0.500536D+00  0.145894D+01 -0.250848D+01
                 6             7             8             9            10 
      1   0.145894D+01 -0.836406D-02  0.109289D+01 -0.136790D+01  0.631764D+01
      2  -0.250848D+01  0.109289D+01 -0.472226D+00  0.109346D+01  0.186501D+01
      3   0.555578D+00 -0.136790D+01  0.109346D+01 -0.147477D+01 -0.124434D+01
                11            12            13            14            15 
      1   0.186501D+01 -0.124434D+01  0.563318D+01  0.424473D+01 -0.220343D+01
      2   0.144394D+01 -0.145477D+01  0.424473D+01  0.172545D+01  0.395944D+01
      3  -0.145477D+01  0.235779D+01 -0.220343D+01  0.395944D+01  0.425911D+01
                16            17            18            19            20 
      1  -0.609251D+01 -0.206196D+01  0.510130D+01 -0.125402D+02  0.226704D+01
      2  -0.206196D+01  0.186383D+01  0.434883D+01  0.226704D+01 -0.170590D+01
      3   0.510130D+01  0.434883D+01  0.114278D+00 -0.112462D+01  0.487414D+00
                21            22            23            24            25 
      1  -0.112462D+01  0.766994D+00 -0.969481D+00 -0.688378D-02  0.488403D+00
      2   0.487414D+00 -0.969481D+00  0.704655D+00 -0.264908D-01 -0.136762D+00
      3  -0.137801D+01 -0.688378D-02 -0.264908D-01  0.179464D+00 -0.791331D+00
                26            27            28            29            30 
      1  -0.136762D+00 -0.791331D+00 -0.116188D+01 -0.132764D+01 -0.106843D+01
      2   0.122468D+00  0.362201D+00 -0.132764D+01 -0.986938D+00 -0.420358D+00
      3   0.362201D+00 -0.459554D+00 -0.106843D+01 -0.420358D+00 -0.131858D+01
                31            32            33            34            35 
      1  -0.377374D+01 -0.192650D+01 -0.820421D+00 -0.200479D+01 -0.857887D+00
      2  -0.192650D+01 -0.419054D+01 -0.267440D+01 -0.857887D+00 -0.270555D+01
      3  -0.820421D+00 -0.267440D+01 -0.303129D+01 -0.205401D+01 -0.287252D+01
                36            37            38            39            40 
      1  -0.205401D+01  0.108080D+02  0.183191D+01  0.585424D+00 -0.433279D+00
      2  -0.287252D+01  0.183191D+01 -0.243607D+01  0.101986D+01 -0.276962D+01
      3  -0.438560D+01  0.585424D+00  0.101986D+01 -0.263650D+01  0.203094D+01
                41            42            43            44            45 
      1  -0.276962D+01  0.203094D+01  0.708619D+01  0.251285D+01 -0.414868D+01
      2   0.250579D+01 -0.323444D+01  0.251285D+01 -0.166109D+01 -0.335762D+01
      3  -0.323444D+01 -0.332549D+01 -0.414868D+01 -0.335762D+01  0.698412D-01
                46            47            48            49            50 
      1  -0.200966D+02 -0.337431D+01  0.477205D+00 -0.403846D+01  0.948040D+00
      2  -0.337431D+01 -0.308945D+01  0.893515D-01  0.948040D+00 -0.174236D+00
      3   0.477205D+00  0.893515D-01 -0.209566D+01  0.149425D+01 -0.348534D+00
                51            52            53            54            55 
      1   0.149425D+01 -0.245207D+00  0.138019D+01 -0.392190D+01  0.971742D-01
      2  -0.348534D+00  0.138019D+01 -0.418644D+00 -0.743202D+00 -0.107047D+01
      3  -0.292225D+00 -0.392190D+01 -0.743202D+00 -0.117788D+01  0.245354D+00
                56            57            58            59            60 
      1  -0.107047D+01  0.245354D+00 -0.167734D+01  0.677983D+00 -0.187212D+00
      2   0.164706D+01 -0.807787D+00  0.677983D+00 -0.622164D+01  0.249455D+01
      3  -0.807787D+00  0.110376D+01 -0.187212D+00  0.249455D+01 -0.201353D+01
                61            62            63            64            65 
      1   0.274437D-01 -0.414541D+00  0.353375D+00 -0.152693D+02 -0.247505D+01
      2  -0.414541D+00  0.158146D+01 -0.129908D+01 -0.247505D+01 -0.134663D+01
      3   0.353375D+00 -0.129908D+01  0.168791D+01  0.139938D+01  0.386151D+00
                66            67            68            69            70 
      1   0.139938D+01 -0.181063D+01 -0.155755D+01  0.174945D-01 -0.198341D+01
      2   0.386151D+00 -0.155755D+01 -0.104688D+01  0.477196D+00 -0.428122D+00
      3  -0.145335D+01  0.174945D-01  0.477196D+00 -0.273077D-01 -0.887674D+00
                71            72            73            74            75 
      1  -0.428122D+00 -0.887674D+00 -0.312106D+00  0.433274D+00  0.473446D+00
      2  -0.221852D+00  0.758067D-01  0.433274D+00  0.462700D+00  0.319823D-02
      3   0.758067D-01 -0.809588D-01  0.473446D+00  0.319823D-02  0.109773D+01
                76            77            78            79            80 
      1   0.153118D+01  0.106079D+00 -0.712530D+00  0.935399D+00 -0.104332D+00
      2   0.106079D+00  0.200881D+01  0.201738D+01 -0.104332D+00  0.186804D+01
      3  -0.712530D+00  0.201738D+01  0.344492D+01 -0.286245D+00  0.165767D+01
                81            82            83            84            85 
      1  -0.286245D+00  0.457147D+01 -0.685824D+00  0.747728D-01  0.953385D+01
      2   0.165767D+01 -0.685824D+00 -0.380771D+01 -0.921404D+00  0.593197D+00
      3   0.505671D+01  0.747728D-01 -0.921404D+00 -0.231260D+01  0.135072D+00
                86            87            88            89            90 
      1   0.593197D+00  0.135072D+00  0.327931D+01 -0.287837D+00 -0.202559D+01
      2   0.191254D+01 -0.802504D+00 -0.287837D+00 -0.193440D+01  0.313983D+01
      3  -0.802504D+00  0.170601D+01 -0.202559D+01  0.313983D+01  0.122026D+01
                91            92            93            94            95 
      1  -0.453952D+01 -0.729944D+00 -0.273198D+00  0.557104D+01  0.454108D+00
      2  -0.729944D+00  0.324415D+01 -0.198473D+00  0.454108D+00  0.134276D+01
      3  -0.273198D+00 -0.198473D+00  0.914924D+00 -0.473965D+00 -0.128956D+01
                96            97            98            99           100 
      1  -0.473965D+00  0.593054D+00 -0.973868D+00  0.209261D+01  0.648217D+01
      2  -0.128956D+01 -0.973868D+00 -0.131402D+01  0.374440D+01  0.556873D+00
      3   0.220219D+01  0.209261D+01  0.374440D+01  0.311828D+01 -0.678550D+00
               101           102           103           104           105 
      1   0.556873D+00 -0.678550D+00  0.161249D+01 -0.779715D+00 -0.151081D+01
      2   0.356974D+01  0.156637D-01 -0.779715D+00  0.300638D+00 -0.657332D+00
      3   0.156637D-01  0.334238D+01 -0.151081D+01 -0.657332D+00 -0.643195D-01
               106           107           108           109           110 
      1   0.413015D-01 -0.150882D+01  0.541508D+01 -0.359747D+01 -0.682667D+00
      2  -0.150882D+01  0.260917D+00  0.317123D+00 -0.682667D+00  0.293610D+01
      3   0.541508D+01  0.317123D+00  0.126764D+01 -0.498918D+00  0.104940D+01
               111           112           113           114           115 
      1  -0.498918D+00 -0.675017D+01 -0.755652D+00 -0.105324D+01 -0.238642D+01
      2   0.104940D+01 -0.755652D+00 -0.115501D+01  0.154167D+01 -0.666974D+00
      3   0.214297D+01 -0.105324D+01  0.154167D+01 -0.217785D+01  0.305559D+01
               116           117           118           119           120 
      1  -0.666974D+00  0.305559D+01  0.563122D+01  0.279686D+01  0.694130D+00
      2   0.208126D+01 -0.311426D+01  0.279686D+01 -0.304392D+01 -0.107001D+00
      3  -0.311426D+01 -0.170458D+01  0.694130D+00 -0.107001D+00 -0.147713D+01
               121           122           123           124           125 
      1  -0.786689D+01 -0.974774D+00  0.506037D+00 -0.677167D+00  0.131716D+01
      2  -0.974774D+00 -0.196739D+01  0.126847D+01  0.131716D+01  0.109403D+01
      3   0.506037D+00  0.126847D+01 -0.143886D+01 -0.753799D+00 -0.313500D+01
               126           127           128           129           130 
      1  -0.753799D+00 -0.313722D+01  0.225337D+01  0.177539D+00  0.229960D+01
      2  -0.313500D+01  0.225337D+01 -0.283291D+01 -0.319270D+00 -0.288506D+01
      3  -0.320241D+01  0.177539D+00 -0.319270D+00 -0.318618D+00 -0.503881D+00
               131           132           133           134           135 
      1  -0.288506D+01 -0.503881D+00  0.834244D-01 -0.373438D+00 -0.752136D-01
      2   0.627399D+01  0.868191D+00 -0.373438D+00  0.116690D+01  0.236964D+00
      3   0.868191D+00  0.806892D+00 -0.752136D-01  0.236964D+00  0.142733D+00
               136           137           138           139           140 
      1   0.245142D+01  0.274389D+01  0.824744D+00  0.240170D+01  0.388856D+01
      2   0.274389D+01  0.298803D+01  0.830801D+00  0.388856D+01  0.906979D+01
      3   0.824744D+00  0.830801D+00  0.549794D+00  0.103753D+01  0.223925D+01
               141           142           143           144           145 
      1   0.103753D+01  0.790881D+00  0.120677D+01  0.340164D+00  0.133594D+02
      2   0.223925D+01  0.120677D+01  0.241922D+01  0.568807D+00  0.939394D+00
      3   0.128740D+01  0.340164D+00  0.568807D+00  0.316585D+00  0.129212D+01
               146           147           148           149           150 
      1   0.939394D+00  0.129212D+01  0.806255D+00  0.160911D+01  0.503015D+00
      2   0.759374D+00  0.867207D-01  0.160911D+01  0.349007D+00  0.182704D+00
      3   0.867207D-01  0.854107D+00  0.503015D+00  0.182704D+00  0.129680D+00
               151           152           153           154           155 
      1   0.138191D+01  0.488269D+00  0.461724D-01  0.457462D+01 -0.380279D+01
      2   0.488269D+00  0.107527D+00  0.156117D-01 -0.380279D+01  0.358034D+01
      3   0.461724D-01  0.156117D-01  0.156144D+00 -0.630174D+00  0.516887D+00
               156           157           158           159           160 
      1  -0.630174D+00 -0.362744D+01  0.452140D+01  0.948771D+00 -0.545089D+00
      2   0.516887D+00  0.452140D+01 -0.679723D+01 -0.127607D+01  0.721306D+00
      3   0.529732D+00  0.948771D+00 -0.127607D+01 -0.846706D+00  0.142896D+00
               161           162           163           164           165 
      1   0.721306D+00  0.142896D+00 -0.167317D+01 -0.182415D+01 -0.608405D+00
      2  -0.147597D+01 -0.271491D+00 -0.182415D+01 -0.212026D+01 -0.757817D+00
      3  -0.271491D+00 -0.194634D+00 -0.608405D+00 -0.757817D+00 -0.403282D+00
               166           167           168           169           170 
      1  -0.154295D+01 -0.218432D+01 -0.659676D+00 -0.764357D+00 -0.904908D+00
      2  -0.218432D+01 -0.768131D+01 -0.223105D+01 -0.904908D+00 -0.236193D+01
      3  -0.659676D+00 -0.223105D+01 -0.135367D+01 -0.234836D+00 -0.767531D+00
               171 
      1  -0.234836D+00
      2  -0.767531D+00
      3  -0.469987D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.410373D+00  0.675493D+00  0.109770D+01 -0.175996D+00 -0.374222D+01
      2   0.686563D+01 -0.122978D+01  0.146750D+01 -0.318181D+00  0.346359D+01
      3   0.157975D+02 -0.474780D+01  0.210639D+01  0.228484D+01  0.105119D+02
                 6             7             8             9            10 
      1  -0.464328D+01 -0.260526D+01  0.422127D+01  0.588113D+00 -0.184446D+01
      2  -0.283119D+01 -0.275731D+01 -0.134235D+00  0.297205D+01  0.371421D+01
      3  -0.527438D+01  0.813594D+00 -0.135002D+01  0.277882D+01  0.156474D+01
                11            12            13            14            15 
      1  -0.253673D+00  0.247408D-01  0.121605D+01  0.254625D+01  0.193237D+01
      2   0.244736D+01 -0.393404D+01  0.392569D+01 -0.644198D+01 -0.658774D+01
      3   0.196324D+01 -0.643392D+00  0.120767D+02 -0.305866D+01  0.888109D+01
                16            17            18            19            20 
      1   0.530716D+01  0.497043D+01 -0.189320D+01 -0.626140D+00  0.840151D+00
      2  -0.170881D+02 -0.102550D+02 -0.207808D+00 -0.692904D+01  0.338989D+00
      3  -0.131061D+01  0.745130D+01  0.664841D+01 -0.974149D+01 -0.414299D+01
                21            22            23            24            25 
      1   0.919320D+00  0.506878D+00 -0.239799D+00 -0.540990D+00  0.649481D+00
      2   0.539337D+01 -0.721906D-02 -0.993929D+00  0.136493D+00  0.122971D+01
      3   0.783769D-01 -0.115747D+01  0.465113D+00  0.386184D+00  0.194931D+00
                26            27            28            29            30 
      1   0.766727D-01 -0.347031D+00 -0.107709D+01  0.135524D+00 -0.114371D+01
      2  -0.516167D+00  0.519935D-01  0.135889D+01  0.552380D+00  0.298224D+01
      3   0.358764D+00 -0.255413D+00 -0.243887D+01 -0.314679D+01 -0.255903D+00
                31            32            33            34            35 
      1  -0.285811D+00  0.123178D+01 -0.283347D+01 -0.142256D+01  0.128398D+01
      2  -0.440680D+00  0.455198D+01  0.575103D+01  0.535337D+00  0.441210D+01
      3   0.445499D+00 -0.775422D+01 -0.545436D+01  0.851032D+00 -0.552939D+01
                36            37            38            39            40 
      1  -0.261729D+01  0.414407D+01 -0.327368D+01 -0.166232D+01 -0.934436D-01
      2   0.718136D+01 -0.142493D+02 -0.530687D+01  0.977812D+01 -0.734779D+01
      3  -0.487829D+01 -0.380384D+01 -0.116161D+02  0.126147D+01 -0.498648D+01
                41            42            43            44            45 
      1   0.251217D+01 -0.110307D+02 -0.217404D+01 -0.539298D+01 -0.295735D+01
      2   0.113349D+02  0.667965D+01  0.704602D+01  0.764582D+01  0.372916D+01
      3   0.118350D+02 -0.121104D+02  0.177158D+01 -0.102776D+02 -0.575684D+01
                46            47            48            49            50 
      1  -0.238995D+00 -0.346836D+00 -0.441182D+00 -0.258132D+01 -0.384664D+01
      2  -0.313597D+01 -0.156003D+01 -0.106818D+01 -0.191082D+01  0.526797D+00
      3  -0.358225D+01  0.669694D+01  0.121957D+01  0.178966D+02  0.184482D+01
                51            52            53            54            55 
      1   0.120917D+01 -0.198605D-01  0.103596D+02  0.270145D+01 -0.171797D+01
      2   0.103494D+01 -0.137180D+02  0.719841D+00  0.488824D+00 -0.220128D+01
      3  -0.166709D+01  0.611900D+00  0.697001D+00 -0.494518D+00 -0.510734D+01
                56            57            58            59            60 
      1   0.202650D+01  0.106967D+01  0.136603D+01 -0.601780D+01 -0.891767D+00
      2   0.276751D+01 -0.212375D+01  0.344786D+01 -0.761140D+01  0.474813D+01
      3   0.521221D+01 -0.172835D+01  0.693078D+01 -0.165159D+02  0.663285D+01
                61            62            63            64            65 
      1   0.515559D+00  0.227217D+01  0.400924D+00 -0.679106D+00 -0.157535D+01
      2  -0.235221D+01  0.324230D+01 -0.392699D+01  0.100004D+02  0.853581D+00
      3  -0.933006D+00  0.448139D+01 -0.391746D+01  0.645021D+01 -0.580004D+01
                66            67            68            69            70 
      1  -0.169665D+01 -0.135102D+01 -0.661312D+00 -0.199674D+00 -0.126793D+01
      2   0.704859D+01  0.170215D+01 -0.371204D+00  0.460229D+00  0.182234D+01
      3   0.270417D+00 -0.154802D+01 -0.224291D+01  0.150328D+01  0.557967D-01
                71            72            73            74            75 
      1   0.101008D+01 -0.539608D-01  0.142978D+01  0.142735D+01  0.646291D+00
      2  -0.234712D+00  0.679894D+00 -0.185184D+01 -0.922586D+00 -0.253459D+01
      3   0.585745D+00  0.143953D+01  0.189356D+01  0.986162D+00 -0.795563D-01
                76            77            78            79            80 
      1   0.503385D+00  0.553008D+01  0.390967D+01 -0.162975D+00  0.622666D+01
      2  -0.136694D+01 -0.586244D+01 -0.841240D+01 -0.282058D+01 -0.475070D+01
      3   0.157911D+01  0.551100D+01  0.582749D+01 -0.486339D+00  0.538985D+01
                81            82            83            84            85 
      1   0.657680D+01 -0.628473D+00  0.493425D-01  0.356376D+01 -0.826702D+00
      2  -0.122624D+02  0.258237D+01  0.106829D+00 -0.163963D+01  0.451948D+01
      3   0.517942D+01  0.205363D+01  0.493922D+00  0.160373D+01  0.434003D+01
                86            87            88            89            90 
      1   0.492024D+00 -0.249468D+01  0.683409D+01  0.294912D+01  0.176466D+00
      2   0.129785D+01  0.267661D+00 -0.122003D+02 -0.525483D+00 -0.742180D-02
      3  -0.672317D+01  0.799793D+00 -0.101217D+01 -0.567435D+00 -0.531516D+01
                91            92            93            94            95 
      1   0.111599D+01  0.866530D+00 -0.189617D+01  0.152471D+01  0.999394D-01
      2  -0.694209D+00  0.268408D+01 -0.102150D+00  0.155971D+01 -0.376275D+01
      3   0.456622D+00 -0.118848D+02 -0.308808D+01  0.402902D+01 -0.176248D+01
                96            97            98            99           100 
      1  -0.387010D+01 -0.513403D+01  0.134912D+01 -0.171516D+01  0.250056D+00
      2   0.608261D+01 -0.837277D+01  0.900739D+01  0.508471D+01  0.977158D-01
      3   0.233521D+01 -0.493389D+00  0.256057D+01 -0.470772D+01 -0.128217D+01
               101           102           103           104           105 
      1  -0.774562D+00 -0.123918D+01 -0.936203D+00 -0.348338D+01  0.318063D+01
      2  -0.597259D+00  0.946796D+01 -0.517504D+01 -0.430074D+00  0.412787D+00
      3  -0.803011D+01  0.482741D+00  0.122983D+02  0.726503D+00  0.193081D+01
               106           107           108           109           110 
      1  -0.183678D+01  0.110590D+02  0.342654D+01 -0.955980D+00 -0.132155D+01
      2   0.805872D+01  0.141168D+01  0.302871D+01 -0.126240D+01  0.276817D+01
      3   0.502944D+01  0.144301D+01  0.464947D+00  0.445884D+00 -0.126154D+02
               111           112           113           114           115 
      1   0.327825D+01 -0.189604D+01  0.734181D-01 -0.290190D+01  0.708759D+01
      2   0.268489D+01 -0.114213D+01  0.437112D+01 -0.662466D+01 -0.465526D+01
      3  -0.273704D+01  0.580222D+01  0.521155D+00 -0.301142D+01 -0.741682D+00
               116           117           118           119           120 
      1   0.320003D+01  0.156354D+01 -0.942031D-01  0.205363D+01 -0.289108D+01
      2  -0.988110D+01 -0.498956D+01  0.411963D+01  0.161385D+01 -0.139102D+01
      3  -0.479823D+01  0.350794D+01 -0.999728D+00 -0.123546D+01 -0.245994D+01
               121           122           123           124           125 
      1   0.174925D+01  0.678602D+00 -0.302287D+01 -0.526242D+01  0.145620D+01
      2   0.189173D+01 -0.107236D+01 -0.109288D+01 -0.141069D+02 -0.130795D+01
      3   0.173528D+01  0.737606D+01  0.686554D-01 -0.379895D+01 -0.591701D+00
               126           127           128           129           130 
      1  -0.880933D+00  0.427364D+00 -0.640185D+00  0.189074D+01  0.149677D+00
      2  -0.311838D+01  0.167972D+01 -0.767650D+00  0.490552D+00 -0.734582D+00
      3   0.533933D+01 -0.914335D+01  0.368437D+01  0.105764D+00  0.690381D+01
               131           132           133           134           135 
      1  -0.906381D-01 -0.317415D+01 -0.196270D+00  0.184011D+01 -0.753429D-02
      2   0.128863D+01 -0.100080D+01 -0.146970D+01  0.609317D+00 -0.306578D+00
      3  -0.531390D+01 -0.121437D+01 -0.200291D+00 -0.733500D+00 -0.184238D+00
               136           137           138           139           140 
      1  -0.259975D+00  0.526444D-01 -0.174469D+01 -0.212667D+00  0.541023D+00
      2   0.467706D+00  0.847855D+00  0.187350D+01  0.729719D+00  0.336352D+01
      3  -0.828630D+00 -0.283900D+01 -0.563545D+00 -0.149919D+01 -0.131591D+02
               141           142           143           144           145 
      1  -0.421369D+01  0.539832D+00  0.205160D+01 -0.628495D+00 -0.132347D+00
      2   0.339954D+01 -0.472257D+00  0.197552D+00  0.772975D+00  0.179430D+01
      3  -0.294789D+01 -0.546022D+00 -0.351208D+01 -0.695802D+00 -0.234005D+00
               146           147           148           149           150 
      1   0.470783D+00 -0.437806D+00  0.129779D+00  0.323568D-01 -0.447395D+00
      2   0.118946D-02  0.606322D+01  0.181116D+01  0.394473D+00  0.692663D+00
      3  -0.525336D+01  0.954888D-01 -0.376902D+01 -0.832442D+00 -0.421465D+00
               151           152           153           154           155 
      1   0.250577D+00  0.522580D+00 -0.297834D-01  0.278456D+00 -0.689162D+00
      2  -0.276206D+01 -0.906720D-01  0.563280D+00  0.172531D+00 -0.104078D+00
      3  -0.134182D+01 -0.757173D+00 -0.141553D+00  0.157588D+01 -0.494624D+01
               156           157           158           159           160 
      1   0.211296D+01  0.297884D+00  0.244992D+00 -0.337659D+01 -0.958533D+00
      2   0.259544D+01  0.778971D+00 -0.164985D+01 -0.319188D+01 -0.642060D+00
      3  -0.259500D+00 -0.335937D+01  0.112190D+02  0.161293D+01 -0.115909D+01
               161           162           163           164           165 
      1   0.170439D+01 -0.438353D+00  0.198647D+00  0.277060D+00 -0.145064D+01
      2   0.541331D+00 -0.460023D+00 -0.191181D+01 -0.126106D+01  0.132872D+00
      3   0.265788D+01  0.385992D+00  0.627633D+01  0.356703D+01  0.136158D+01
               166           167           168           169           170 
      1   0.298255D+00  0.866672D+00 -0.377549D+01  0.503712D+00  0.249419D+01
      2  -0.192310D+01 -0.239686D+01  0.758202D-01 -0.218123D+01 -0.737381D+00
      3   0.690390D+01  0.799842D+01  0.274116D+01  0.269510D+01  0.249158D+01
               171 
      1  -0.634975D+00
      2   0.108155D+00
      3   0.602602D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.384742D+02  0.307421D+01  0.152136D+00 -0.542452D+01 -0.619810D+01
      2   0.208389D+02 -0.384025D+01 -0.143565D+01 -0.603876D-02  0.135527D+02
      3   0.176353D+02  0.766036D+00  0.128351D+01  0.543055D+01 -0.735457D+01
      4   0.727359D+01  0.446437D+01 -0.206642D+01  0.189269D+02 -0.200315D+02
      5  -0.647345D+01 -0.208132D+01  0.591608D+01 -0.107614D+02  0.114685D+02
      6  -0.142556D+01 -0.383415D+00 -0.247721D+01  0.428190D+01 -0.649628D+01
                 6             7             8             9            10 
      1   0.105260D+01  0.809403D+00  0.271836D+01 -0.331832D+01  0.113348D+02
      2   0.219284D+01 -0.101668D+01 -0.211533D+01 -0.473861D+01 -0.242608D+01
      3  -0.324544D+01  0.207272D+00 -0.603025D+00  0.805693D+01 -0.890875D+01
      4   0.122182D+02 -0.783350D+01  0.393775D+01 -0.542307D+01 -0.589954D+01
      5  -0.612227D+01  0.123699D+02 -0.595668D+01  0.885930D+01  0.741741D+01
      6   0.126151D+02 -0.163026D+01  0.781810D+01 -0.729725D+01  0.306284D+01
                11            12            13            14            15 
      1   0.153540D+01 -0.221759D+01  0.292200D+01 -0.917681D+00  0.635578D+01
      2   0.891555D+00 -0.115396D+01  0.377965D+01  0.335900D+00 -0.128285D+02
      3  -0.242696D+01  0.337155D+01 -0.670165D+01  0.581781D+00  0.647273D+01
      4  -0.143990D+02  0.443234D+01 -0.247152D+02 -0.500864D+01 -0.188568D+02
      5   0.518767D+01 -0.177258D+02  0.155359D+02 -0.178335D+02 -0.166240D+02
      6   0.149698D+01 -0.229260D+01 -0.550277D+01 -0.583484D+01 -0.154760D+02
                16            17            18            19            20 
      1   0.148951D+02  0.820750D+01 -0.281732D+01  0.672170D+02 -0.103932D+02
      2  -0.118057D+02 -0.349906D+01  0.546921D+01 -0.351728D+02  0.436982D+01
      3  -0.308932D+01 -0.470844D+01 -0.265190D+01 -0.320443D+02  0.602334D+01
      4   0.155404D+02 -0.967129D+01 -0.225619D+02 -0.249937D+02  0.122553D+02
      5  -0.307987D+02 -0.210038D+02  0.734796D+00  0.156531D+02 -0.372496D+01
      6  -0.134377D+02 -0.130914D+02  0.533276D+00 -0.289431D+01  0.147854D+01
                21            22            23            24            25 
      1   0.464466D+01 -0.279799D+00  0.399895D+01  0.291287D-01 -0.101212D+01
      2  -0.369125D+01 -0.143225D+01 -0.707140D+00 -0.872435D-01 -0.194449D+00
      3  -0.953405D+00  0.171205D+01 -0.329181D+01  0.581148D-01  0.120657D+01
      4  -0.314345D+01  0.849915D+01 -0.417303D+01  0.417104D+00  0.116827D+01
      5   0.934080D+01 -0.454386D-01  0.947418D+00 -0.582872D+00  0.669195D+01
      6  -0.201285D+01  0.156061D+01 -0.272617D+00  0.162666D+01 -0.132800D+01
                26            27            28            29            30 
      1   0.893466D+00  0.308927D+01  0.368716D+01  0.240349D+01  0.324125D+01
      2   0.151893D+00 -0.270763D+01 -0.223472D+01 -0.987400D+00 -0.144758D+01
      3  -0.104536D+01 -0.381648D+00 -0.145244D+01 -0.141609D+01 -0.179366D+01
      4  -0.389451D+00 -0.217983D+01  0.853293D+01  0.100441D+02  0.414693D+01
      5  -0.186587D+01  0.274868D+01  0.621751D+01  0.408597D+01  0.107741D+02
      6   0.106053D+01 -0.293050D+00  0.480462D+01  0.176796D+01  0.275415D+01
                31            32            33            34            35 
      1   0.229248D+01 -0.733065D+01 -0.559883D+01  0.132553D+01 -0.641648D+01
      2  -0.894345D+00  0.800050D+01  0.429101D+01 -0.179800D+01  0.151349D+01
      3  -0.139814D+01 -0.669848D+00  0.130782D+01  0.472479D+00  0.490300D+01
      4   0.122677D+02  0.197539D+02  0.122446D+02  0.570413D+01  0.125547D+02
      5   0.550483D+01  0.116020D+02  0.136334D+02  0.136292D+02  0.124703D+02
      6   0.462636D+01  0.135250D+02  0.129027D+02  0.609102D+01  0.128264D+02
                36            37            38            39            40 
      1  -0.848240D+01 -0.658437D+02 -0.178855D+02  0.686634D+01 -0.150332D+02
      2  -0.338028D+01  0.264412D+02  0.130038D+02  0.703854D+00  0.784437D+01
      3   0.118627D+02  0.394025D+02  0.488173D+01 -0.757020D+01  0.718887D+01
      4   0.134023D+02 -0.227748D+02  0.906063D+01 -0.340937D+01  0.118534D+02
      5   0.184124D+02  0.869542D+01 -0.951779D+00  0.137593D+02 -0.754310D+01
      6   0.141153D+02  0.127347D+01 -0.775846D+01  0.512532D+01 -0.556773D+01
                41            42            43            44            45 
      1   0.226380D+02 -0.226209D+01 -0.696793D+01 -0.337555D+01  0.116487D+02
      2  -0.145069D+02  0.167497D+02  0.101027D+02  0.130050D+02 -0.532928D+01
      3  -0.813101D+01 -0.144876D+02 -0.313482D+01 -0.962945D+01 -0.631941D+01
      4  -0.667307D+01  0.138474D+02 -0.144130D+02  0.780798D+01  0.200851D+02
      5   0.920494D+01  0.162784D+02  0.262182D+02  0.180078D+02 -0.575195D+01
      6   0.710915D+01 -0.451442D+01  0.108302D+02  0.184379D+00 -0.110105D+02
                46            47            48            49            50 
      1  -0.168004D+02 -0.572240D+00 -0.281013D+01  0.154280D+01 -0.423153D+01
      2   0.488494D+01  0.479868D+00  0.399566D+00 -0.367357D+01  0.975294D+01
      3   0.119155D+02  0.923718D-01  0.241056D+01  0.213077D+01 -0.552141D+01
      4   0.132637D+02  0.565038D+01 -0.549557D-01 -0.514398D+01 -0.273242D+01
      5  -0.951266D+01 -0.790694D+00  0.589116D+00 -0.534330D+01  0.191303D+01
      6  -0.375347D+01  0.592876D+00  0.922048D+00 -0.181940D+01  0.478975D+01
                51            52            53            54            55 
      1  -0.276142D+00 -0.100293D+02 -0.187076D+01 -0.827056D+01 -0.603125D+00
      2   0.650265D+01  0.924598D+00  0.291135D+01 -0.278739D+01  0.278179D+01
      3  -0.622651D+01  0.910466D+01 -0.104060D+01  0.110580D+02 -0.217866D+01
      4   0.151963D+01 -0.602929D+01  0.393598D+00  0.312997D+01  0.213560D+01
      5   0.192491D+01  0.542671D+01  0.251585D+01 -0.333681D+00  0.635674D+00
      6  -0.118362D+01 -0.245576D+00  0.785030D+01 -0.265712D+01 -0.289273D+01
                56            57            58            59            60 
      1   0.101871D+02 -0.544608D+01  0.105703D+02 -0.241308D+02  0.100937D+02
      2  -0.869506D+01  0.190007D+01 -0.672762D+01  0.271183D+02 -0.703021D+01
      3  -0.149208D+01  0.354601D+01 -0.384270D+01 -0.298757D+01 -0.306346D+01
      4  -0.250569D+01  0.123816D+01  0.261953D+01  0.232058D+02 -0.956368D+01
      5  -0.395481D+00 -0.208971D+01 -0.361390D+01 -0.687065D+01  0.653654D+01
      6   0.571669D+01 -0.423021D+01  0.208004D+01 -0.189719D+02  0.120453D+02
                61            62            63            64            65 
      1  -0.242011D+01  0.738555D+01 -0.931066D+01  0.894706D+02  0.111046D+02
      2   0.743147D+00 -0.396523D+01  0.299459D+01 -0.439084D+02 -0.332561D+01
      3   0.167696D+01 -0.342032D+01  0.631607D+01 -0.455621D+02 -0.777895D+01
      4   0.109195D+01 -0.575898D+01  0.367513D+01  0.303829D+02  0.158143D+02
      5   0.124475D+01  0.348032D+01 -0.486131D+01 -0.245155D+02 -0.450520D+01
      6  -0.222107D+01  0.106172D+02 -0.670227D+01 -0.440316D+01 -0.310381D+01
                66            67            68            69            70 
      1  -0.312210D+01  0.715552D+01  0.556417D+01  0.574743D+00  0.862994D+01
      2   0.469942D+01 -0.117896D+01 -0.811435D+00 -0.114389D+01 -0.190148D+01
      3  -0.157732D+01 -0.597656D+01 -0.475273D+01  0.569145D+00 -0.672845D+01
      4  -0.293819D+01  0.156408D+02  0.817427D+01 -0.255383D+01  0.331596D+01
      5   0.138831D+02 -0.196305D+01 -0.343268D+01  0.865017D+00  0.927720D+01
      6   0.338740D+01 -0.230897D+01 -0.218451D+01  0.259363D+01  0.260117D+01
                71            72            73            74            75 
      1   0.104689D+01  0.549686D+01  0.393357D+01 -0.844709D+00 -0.607097D+01
      2  -0.679373D+00 -0.424411D+01 -0.334375D+01 -0.122194D+00  0.236881D+00
      3  -0.367517D+00 -0.125274D+01 -0.589821D+00  0.966903D+00  0.583409D+01
      4   0.125831D+01  0.984486D+00 -0.475492D+00 -0.117029D+01  0.668836D-01
      5   0.240532D+00 -0.733391D+00 -0.242234D+01  0.149092D+01 -0.386966D+00
      6   0.159490D+01  0.423711D+00  0.159230D+01  0.179041D+01 -0.372944D+00
                76            77            78            79            80 
      1  -0.458908D+01 -0.662701D+01 -0.573185D+01 -0.505752D+01 -0.402257D+01
      2   0.328194D+01 -0.684220D+00 -0.757698D+01  0.317707D+01 -0.635063D+01
      3   0.130714D+01  0.731123D+01  0.133088D+02  0.188045D+01  0.103732D+02
      4   0.561166D+00 -0.105862D+02 -0.101217D+02 -0.369287D+00 -0.969763D+01
      5   0.643965D+01 -0.820117D+01 -0.151561D+02  0.603629D+01 -0.710167D+01
      6  -0.163383D+00  0.688181D+01  0.718344D+01 -0.197603D+00  0.663074D+01
                81            82            83            84            85 
      1  -0.137077D+02  0.297855D+01  0.166232D+02  0.572697D+01 -0.615634D+01
      2  -0.123203D+02 -0.482768D+01 -0.114191D+02 -0.120011D+00  0.134405D+02
      3   0.260280D+02  0.184913D+01 -0.520403D+01 -0.560696D+01 -0.728415D+01
      4  -0.907482D+01  0.598076D+01 -0.145711D+02 -0.806537D+00 -0.143818D+00
      5  -0.203928D+02  0.450534D+01 -0.151743D+01 -0.226104D+01  0.366983D+01
      6   0.473657D+01  0.248111D+01 -0.173295D+01 -0.695941D+01  0.790899D+01
                86            87            88            89            90 
      1  -0.401775D+00  0.415317D+01 -0.164907D+01  0.626920D+01 -0.141942D+02
      2  -0.326363D+01 -0.376620D+01  0.675785D+01 -0.854474D+01  0.223090D+01
      3   0.366541D+01 -0.386969D+00 -0.510879D+01  0.227554D+01  0.119633D+02
      4   0.138872D+02  0.268033D+01  0.239928D+01  0.245792D-01  0.366840D+01
      5   0.239591D+01 -0.461083D+00  0.496010D+01  0.314391D+01 -0.152291D+01
      6  -0.558036D+01  0.547793D+01 -0.147678D+01  0.123824D+02 -0.163864D+00
                91            92            93            94            95 
      1   0.599028D+01 -0.217913D+02 -0.295192D+01  0.243123D+02  0.111244D+02
      2  -0.456094D+01  0.140460D+02  0.723717D+00 -0.221755D+02 -0.138650D+02
      3  -0.142934D+01  0.774532D+01  0.222820D+01 -0.213676D+01  0.274069D+01
      4  -0.116450D+02 -0.545385D+01 -0.447940D+01  0.997788D+01 -0.305113D+01
      5  -0.713364D+01 -0.278743D+01 -0.335486D+01  0.671891D+00 -0.832515D+01
      6  -0.537190D+01 -0.235188D+01  0.433667D+01 -0.648598D+01 -0.122914D+02
                96            97            98            99           100 
      1   0.322144D+01  0.511567D+01 -0.110759D+01 -0.597429D+01 -0.120055D+02
      2  -0.825006D+01 -0.903903D+01 -0.842456D+01 -0.617123D+01  0.706990D+01
      3   0.502862D+01  0.392337D+01  0.953215D+01  0.121455D+02  0.493555D+01
      4  -0.794942D+01 -0.491764D+01 -0.116233D+02  0.131970D+02 -0.245647D+01
      5   0.123847D+02  0.131555D+02  0.134738D+02  0.107918D+02 -0.658554D+01
      6   0.576888D+01  0.465989D+01  0.130437D+02  0.419413D+01  0.525335D+00
               101           102           103           104           105 
      1  -0.268552D+01 -0.776047D+01  0.827022D+01 -0.195347D+02 -0.838992D+01
      2   0.231901D+01  0.337215D+01 -0.603732D+01  0.168118D+02  0.121571D+02
      3   0.366509D+00  0.438832D+01 -0.223290D+01  0.272299D+01 -0.376714D+01
      4   0.253781D+02  0.760095D-01 -0.202430D+02 -0.500421D+01 -0.459287D+01
      5  -0.126207D+00  0.215172D+02 -0.147964D+02 -0.181442D+01  0.998110D+00
      6   0.590435D+00  0.254436D+01 -0.332307D+01  0.452690D+01 -0.544438D+01
               106           107           108           109           110 
      1  -0.676128D+01 -0.908747D+01  0.131784D+02  0.652430D+00  0.235029D+02
      2   0.143450D+01  0.647555D+01 -0.165169D+02 -0.407993D+01 -0.141500D+02
      3   0.532678D+01  0.261192D+01  0.333855D+01  0.342750D+01 -0.935294D+01
      4  -0.150624D+02 -0.646619D+00  0.329803D+00  0.178861D+02  0.318548D+01
      5   0.347432D+02  0.190392D+01  0.662488D+01 -0.768849D+00  0.190170D+01
      6   0.658628D+00  0.708057D+01 -0.519561D+01  0.128949D+01 -0.153055D+01
               111           112           113           114           115 
      1   0.646231D+01 -0.279618D+02  0.375638D+01  0.128825D+01 -0.978378D+01
      2   0.115562D+01  0.267686D+02 -0.742117D+01 -0.178457D+01  0.113977D+02
      3  -0.761793D+01  0.119312D+01  0.366478D+01  0.496321D+00 -0.161390D+01
      4   0.409751D+01  0.424595D+01  0.107339D+02  0.118861D+02 -0.426464D+00
      5   0.535165D+01 -0.597822D+01  0.997451D+01 -0.135471D+02  0.191164D+02
      6  -0.758774D+01  0.878967D+01 -0.752266D+01  0.617986D+01 -0.598784D+01
               116           117           118           119           120 
      1   0.585750D+01  0.214051D+01  0.942519D+01 -0.114898D+02  0.404894D+00
      2  -0.990434D+01 -0.850791D+01 -0.671980D+01  0.882394D+01 -0.293045D+01
      3   0.404684D+01  0.636741D+01 -0.270539D+01  0.266585D+01  0.252556D+01
      4   0.102046D+02 -0.139340D+02 -0.888018D+01 -0.201385D+02 -0.475175D+01
      5  -0.139849D+02 -0.104733D+02  0.285013D+01 -0.348447D+01 -0.559747D+01
      6   0.120841D+02 -0.751587D+00 -0.232382D+01 -0.325789D+01  0.572340D+01
               121           122           123           124           125 
      1   0.446853D+01  0.737794D+01  0.555854D+01  0.300194D+01  0.330819D+01
      2  -0.107864D+02 -0.977403D+01 -0.796568D+01 -0.530581D+01 -0.103260D+02
      3   0.631791D+01  0.239609D+01  0.240714D+01  0.230388D+01  0.701776D+01
      4   0.124169D+02 -0.132781D+02 -0.287521D+01 -0.887604D+00 -0.439599D+01
      5  -0.154988D+01 -0.320841D+01 -0.833435D+00  0.157974D+01 -0.599369D+01
      6  -0.725874D+01 -0.115873D+02  0.309397D+01  0.144322D+01  0.108604D+02
               126           127           128           129           130 
      1  -0.156633D+02 -0.485695D+01  0.797925D+01  0.864906D+00  0.909728D+01
      2  -0.116351D+01  0.693907D+01 -0.111861D+02 -0.113595D+01 -0.118057D+02
      3   0.168268D+02 -0.208212D+01  0.320684D+01  0.271040D+00  0.270845D+01
      4  -0.740749D+01 -0.850160D+01  0.829536D+01  0.105844D+01  0.770482D+01
      5  -0.610433D+01 -0.677807D+00  0.127558D+01  0.138893D+01  0.130207D+01
      6   0.474462D+01  0.900597D+00 -0.121608D+01 -0.210180D+01 -0.236379D+01
               131           132           133           134           135 
      1  -0.225911D+02 -0.367182D+01  0.139539D+01 -0.386858D+01 -0.902699D+00
      2   0.302349D+02  0.310765D+01 -0.203145D+01  0.480136D+01  0.157204D+01
      3  -0.764382D+01  0.564169D+00  0.636059D+00 -0.932778D+00 -0.669342D+00
      4  -0.879126D+01 -0.103483D+01  0.101234D+01 -0.131010D+01 -0.170885D+01
      5  -0.138923D+01 -0.137330D+01  0.982710D+00 -0.667921D+00 -0.738355D+00
      6   0.500903D+01  0.520373D+01 -0.107080D+01  0.214222D+01  0.122693D+01
               136           137           138           139           140 
      1   0.620182D+01  0.526438D+01  0.123612D+01 -0.760159D+00 -0.142714D+02
      2   0.288050D+01  0.472487D+01  0.391653D+00  0.112337D+02  0.348813D+02
      3  -0.908232D+01 -0.998925D+01 -0.162777D+01 -0.104736D+02 -0.206100D+02
      4   0.200785D+02  0.243423D+02  0.621090D+01  0.252065D+02  0.465759D+02
      5   0.542295D+01  0.618475D+01  0.541265D+01  0.630527D+01  0.108795D+02
      6   0.413248D+01  0.476199D+01  0.317581D+01  0.628881D+01  0.143634D+02
               141           142           143           144           145 
      1  -0.362707D+01  0.567608D+00 -0.283799D+01 -0.158900D+01  0.101696D+03
      2   0.581196D+01  0.210189D+01  0.766517D+01  0.276550D+01 -0.576475D+02
      3  -0.218489D+01 -0.266950D+01 -0.482717D+01 -0.117650D+01 -0.440488D+02
      4   0.110895D+02  0.739863D+01  0.130433D+02  0.427682D+01  0.954875D+01
      5   0.637958D+01  0.266079D+01  0.372953D+01  0.260032D+01  0.127788D+02
      6   0.932076D+01  0.258341D+01  0.532063D+01  0.368494D+01 -0.238417D+01
               146           147           148           149           150 
      1   0.678780D+01  0.828114D+01  0.467899D+01  0.944366D+01  0.211482D+01
      2  -0.339077D+01 -0.556867D+01 -0.206656D+01 -0.445523D+01 -0.186795D+01
      3  -0.339702D+01 -0.271247D+01 -0.261244D+01 -0.498842D+01 -0.246865D+00
      4   0.881053D+01  0.635323D+00  0.152942D+02  0.299350D+01  0.154038D+01
      5   0.727169D+00  0.100954D+02  0.413703D+01  0.178918D+01  0.120332D+01
      6   0.407713D+00  0.197610D+00  0.108646D+01 -0.162660D+00  0.164362D+01
               151           152           153           154           155 
      1   0.103616D+02  0.239864D+01  0.322428D+01  0.197092D+02 -0.128803D+02
      2  -0.585524D+01 -0.135254D+01 -0.190545D+01 -0.243964D+01 -0.187028D+01
      3  -0.450631D+01 -0.104610D+01 -0.131883D+01 -0.172696D+02  0.147506D+02
      4   0.453302D+01  0.160733D+01  0.845304D+00 -0.324337D+02  0.308625D+02
      5   0.298707D+01  0.544684D+00  0.182688D+01 -0.608699D+01  0.446467D+01
      6   0.138536D+00  0.608524D+00  0.598388D+00  0.219933D+01 -0.197625D+01
               156           157           158           159           160 
      1  -0.252164D+01 -0.768275D+01  0.186535D+01  0.431726D+00 -0.344046D+00
      2   0.648325D+00 -0.752615D+01  0.188121D+02  0.141470D+01 -0.180031D+01
      3   0.187332D+01  0.152089D+02 -0.206774D+02 -0.184643D+01  0.214436D+01
      4   0.440934D+01  0.336863D+02 -0.452820D+02 -0.824873D+01  0.590341D+01
      5   0.571740D+01  0.691219D+01 -0.857835D+01 -0.574737D+01  0.235186D+01
      6  -0.285784D+01 -0.449912D+01  0.651755D+01  0.601668D+01 -0.166393D+01
               161           162           163           164           165 
      1  -0.702110D+00 -0.164465D+00 -0.529558D+01 -0.819776D+01 -0.333350D+01
      2   0.383543D+01  0.116867D+01  0.631620D+01  0.946696D+01  0.242911D+01
      3  -0.313332D+01 -0.100420D+01 -0.102061D+01 -0.126919D+01  0.904390D+00
      4  -0.804118D+01 -0.289340D+01  0.426903D+01  0.737589D+01  0.174145D+01
      5  -0.220657D+01 -0.134125D+01  0.123515D+01  0.150976D+01  0.204095D+01
      6   0.243334D+01  0.204977D+01  0.318754D+01  0.470770D+01  0.272583D+01
               166           167           168           169           170 
      1  -0.828380D+01 -0.310679D+02 -0.962495D+01 -0.290013D+01 -0.910500D+01
      2   0.968367D+01  0.390562D+02  0.869137D+01  0.328554D+01  0.104937D+02
      3  -0.139986D+01 -0.798825D+01  0.933584D+00 -0.385416D+00 -0.138869D+01
      4   0.515787D+01  0.578522D+00 -0.411377D+00  0.187178D+01  0.702424D+00
      5   0.111601D+01 -0.521529D+00  0.243460D+00  0.118008D+01  0.561933D+00
      6   0.390487D+01  0.146451D+02  0.931697D+01  0.154496D+01  0.585380D+01
               171 
      1  -0.396368D+01
      2   0.399116D+01
      3  -0.274718D-01
      4   0.158906D+01
      5   0.888897D+00
      6   0.422684D+01
 Leave Link  716 at Thu Aug 12 20:01:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133813D+03  0.129148D+01  0.123475D+01
      2   0.129148D+01  0.107301D+03  0.646323D+01
      3   0.123475D+01  0.646323D+01  0.743709D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.124449D+01  0.335831D+01  0.731931D+01
      2   0.751026D+01  0.142108D+02 -0.697784D+00
      3  -0.662744D+01 -0.425348D+02 -0.134108D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.846713D+02  0.105969D+02  0.240792D+01
      2  -0.323482D+02 -0.153775D+02 -0.167008D+02
      3  -0.523231D+02  0.478063D+01  0.142929D+02
      4  -0.204688D+02  0.772734D+02  0.347337D+02
      5   0.319072D+02  0.362199D+02 -0.858427D+01
      6   0.135150D+02  0.102431D+02 -0.174243D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.803440D+01  0.285228D+00 -0.117476D+00  0.136459D+01 -0.224054D+01
      2   0.285228D+00  0.738375D+00  0.501446D+00 -0.224054D+01  0.304082D+01
      3  -0.117476D+00  0.501446D+00  0.500536D+00  0.145894D+01 -0.250848D+01
                 6             7             8             9            10 
      1   0.145894D+01 -0.836406D-02  0.109289D+01 -0.136790D+01  0.631764D+01
      2  -0.250848D+01  0.109289D+01 -0.472226D+00  0.109346D+01  0.186501D+01
      3   0.555578D+00 -0.136790D+01  0.109346D+01 -0.147477D+01 -0.124434D+01
                11            12            13            14            15 
      1   0.186501D+01 -0.124434D+01  0.563318D+01  0.424473D+01 -0.220343D+01
      2   0.144394D+01 -0.145477D+01  0.424473D+01  0.172545D+01  0.395944D+01
      3  -0.145477D+01  0.235779D+01 -0.220343D+01  0.395944D+01  0.425911D+01
                16            17            18            19            20 
      1  -0.609251D+01 -0.206196D+01  0.510130D+01 -0.125402D+02  0.226704D+01
      2  -0.206196D+01  0.186383D+01  0.434883D+01  0.226704D+01 -0.170590D+01
      3   0.510130D+01  0.434883D+01  0.114278D+00 -0.112462D+01  0.487414D+00
                21            22            23            24            25 
      1  -0.112462D+01  0.766994D+00 -0.969481D+00 -0.688378D-02  0.488403D+00
      2   0.487414D+00 -0.969481D+00  0.704655D+00 -0.264908D-01 -0.136762D+00
      3  -0.137801D+01 -0.688378D-02 -0.264908D-01  0.179464D+00 -0.791331D+00
                26            27            28            29            30 
      1  -0.136762D+00 -0.791331D+00 -0.116188D+01 -0.132764D+01 -0.106843D+01
      2   0.122468D+00  0.362201D+00 -0.132764D+01 -0.986938D+00 -0.420358D+00
      3   0.362201D+00 -0.459554D+00 -0.106843D+01 -0.420358D+00 -0.131858D+01
                31            32            33            34            35 
      1  -0.377374D+01 -0.192650D+01 -0.820421D+00 -0.200479D+01 -0.857887D+00
      2  -0.192650D+01 -0.419054D+01 -0.267440D+01 -0.857887D+00 -0.270555D+01
      3  -0.820421D+00 -0.267440D+01 -0.303129D+01 -0.205401D+01 -0.287252D+01
                36            37            38            39            40 
      1  -0.205401D+01  0.108080D+02  0.183191D+01  0.585424D+00 -0.433279D+00
      2  -0.287252D+01  0.183191D+01 -0.243607D+01  0.101986D+01 -0.276962D+01
      3  -0.438560D+01  0.585424D+00  0.101986D+01 -0.263650D+01  0.203094D+01
                41            42            43            44            45 
      1  -0.276962D+01  0.203094D+01  0.708619D+01  0.251285D+01 -0.414868D+01
      2   0.250579D+01 -0.323444D+01  0.251285D+01 -0.166109D+01 -0.335762D+01
      3  -0.323444D+01 -0.332549D+01 -0.414868D+01 -0.335762D+01  0.698412D-01
                46            47            48            49            50 
      1  -0.200966D+02 -0.337431D+01  0.477205D+00 -0.403846D+01  0.948040D+00
      2  -0.337431D+01 -0.308945D+01  0.893515D-01  0.948040D+00 -0.174236D+00
      3   0.477205D+00  0.893515D-01 -0.209566D+01  0.149425D+01 -0.348534D+00
                51            52            53            54            55 
      1   0.149425D+01 -0.245207D+00  0.138019D+01 -0.392190D+01  0.971742D-01
      2  -0.348534D+00  0.138019D+01 -0.418644D+00 -0.743202D+00 -0.107047D+01
      3  -0.292225D+00 -0.392190D+01 -0.743202D+00 -0.117788D+01  0.245354D+00
                56            57            58            59            60 
      1  -0.107047D+01  0.245354D+00 -0.167734D+01  0.677983D+00 -0.187212D+00
      2   0.164706D+01 -0.807787D+00  0.677983D+00 -0.622164D+01  0.249455D+01
      3  -0.807787D+00  0.110376D+01 -0.187212D+00  0.249455D+01 -0.201353D+01
                61            62            63            64            65 
      1   0.274437D-01 -0.414541D+00  0.353375D+00 -0.152693D+02 -0.247505D+01
      2  -0.414541D+00  0.158146D+01 -0.129908D+01 -0.247505D+01 -0.134663D+01
      3   0.353375D+00 -0.129908D+01  0.168791D+01  0.139938D+01  0.386151D+00
                66            67            68            69            70 
      1   0.139938D+01 -0.181063D+01 -0.155755D+01  0.174945D-01 -0.198341D+01
      2   0.386151D+00 -0.155755D+01 -0.104688D+01  0.477196D+00 -0.428122D+00
      3  -0.145335D+01  0.174945D-01  0.477196D+00 -0.273077D-01 -0.887674D+00
                71            72            73            74            75 
      1  -0.428122D+00 -0.887674D+00 -0.312106D+00  0.433274D+00  0.473446D+00
      2  -0.221852D+00  0.758067D-01  0.433274D+00  0.462700D+00  0.319823D-02
      3   0.758067D-01 -0.809588D-01  0.473446D+00  0.319823D-02  0.109773D+01
                76            77            78            79            80 
      1   0.153118D+01  0.106079D+00 -0.712530D+00  0.935399D+00 -0.104332D+00
      2   0.106079D+00  0.200881D+01  0.201738D+01 -0.104332D+00  0.186804D+01
      3  -0.712530D+00  0.201738D+01  0.344492D+01 -0.286245D+00  0.165767D+01
                81            82            83            84            85 
      1  -0.286245D+00  0.457147D+01 -0.685824D+00  0.747728D-01  0.953385D+01
      2   0.165767D+01 -0.685824D+00 -0.380771D+01 -0.921404D+00  0.593197D+00
      3   0.505671D+01  0.747728D-01 -0.921404D+00 -0.231260D+01  0.135072D+00
                86            87            88            89            90 
      1   0.593197D+00  0.135072D+00  0.327931D+01 -0.287837D+00 -0.202559D+01
      2   0.191254D+01 -0.802504D+00 -0.287837D+00 -0.193440D+01  0.313983D+01
      3  -0.802504D+00  0.170601D+01 -0.202559D+01  0.313983D+01  0.122026D+01
                91            92            93            94            95 
      1  -0.453952D+01 -0.729944D+00 -0.273198D+00  0.557104D+01  0.454108D+00
      2  -0.729944D+00  0.324415D+01 -0.198473D+00  0.454108D+00  0.134276D+01
      3  -0.273198D+00 -0.198473D+00  0.914924D+00 -0.473965D+00 -0.128956D+01
                96            97            98            99           100 
      1  -0.473965D+00  0.593054D+00 -0.973868D+00  0.209261D+01  0.648217D+01
      2  -0.128956D+01 -0.973868D+00 -0.131402D+01  0.374440D+01  0.556873D+00
      3   0.220219D+01  0.209261D+01  0.374440D+01  0.311828D+01 -0.678550D+00
               101           102           103           104           105 
      1   0.556873D+00 -0.678550D+00  0.161249D+01 -0.779715D+00 -0.151081D+01
      2   0.356974D+01  0.156637D-01 -0.779715D+00  0.300638D+00 -0.657332D+00
      3   0.156637D-01  0.334238D+01 -0.151081D+01 -0.657332D+00 -0.643195D-01
               106           107           108           109           110 
      1   0.413015D-01 -0.150882D+01  0.541508D+01 -0.359747D+01 -0.682667D+00
      2  -0.150882D+01  0.260917D+00  0.317123D+00 -0.682667D+00  0.293610D+01
      3   0.541508D+01  0.317123D+00  0.126764D+01 -0.498918D+00  0.104940D+01
               111           112           113           114           115 
      1  -0.498918D+00 -0.675017D+01 -0.755652D+00 -0.105324D+01 -0.238642D+01
      2   0.104940D+01 -0.755652D+00 -0.115501D+01  0.154167D+01 -0.666974D+00
      3   0.214297D+01 -0.105324D+01  0.154167D+01 -0.217785D+01  0.305559D+01
               116           117           118           119           120 
      1  -0.666974D+00  0.305559D+01  0.563122D+01  0.279686D+01  0.694130D+00
      2   0.208126D+01 -0.311426D+01  0.279686D+01 -0.304392D+01 -0.107001D+00
      3  -0.311426D+01 -0.170458D+01  0.694130D+00 -0.107001D+00 -0.147713D+01
               121           122           123           124           125 
      1  -0.786689D+01 -0.974774D+00  0.506037D+00 -0.677167D+00  0.131716D+01
      2  -0.974774D+00 -0.196739D+01  0.126847D+01  0.131716D+01  0.109403D+01
      3   0.506037D+00  0.126847D+01 -0.143886D+01 -0.753799D+00 -0.313500D+01
               126           127           128           129           130 
      1  -0.753799D+00 -0.313722D+01  0.225337D+01  0.177539D+00  0.229960D+01
      2  -0.313500D+01  0.225337D+01 -0.283291D+01 -0.319270D+00 -0.288506D+01
      3  -0.320241D+01  0.177539D+00 -0.319270D+00 -0.318618D+00 -0.503881D+00
               131           132           133           134           135 
      1  -0.288506D+01 -0.503881D+00  0.834244D-01 -0.373438D+00 -0.752136D-01
      2   0.627399D+01  0.868191D+00 -0.373438D+00  0.116690D+01  0.236964D+00
      3   0.868191D+00  0.806892D+00 -0.752136D-01  0.236964D+00  0.142733D+00
               136           137           138           139           140 
      1   0.245142D+01  0.274389D+01  0.824744D+00  0.240170D+01  0.388856D+01
      2   0.274389D+01  0.298803D+01  0.830801D+00  0.388856D+01  0.906979D+01
      3   0.824744D+00  0.830801D+00  0.549794D+00  0.103753D+01  0.223925D+01
               141           142           143           144           145 
      1   0.103753D+01  0.790881D+00  0.120677D+01  0.340164D+00  0.133594D+02
      2   0.223925D+01  0.120677D+01  0.241922D+01  0.568807D+00  0.939394D+00
      3   0.128740D+01  0.340164D+00  0.568807D+00  0.316585D+00  0.129212D+01
               146           147           148           149           150 
      1   0.939394D+00  0.129212D+01  0.806255D+00  0.160911D+01  0.503015D+00
      2   0.759374D+00  0.867207D-01  0.160911D+01  0.349007D+00  0.182704D+00
      3   0.867207D-01  0.854107D+00  0.503015D+00  0.182704D+00  0.129680D+00
               151           152           153           154           155 
      1   0.138191D+01  0.488269D+00  0.461724D-01  0.457462D+01 -0.380279D+01
      2   0.488269D+00  0.107527D+00  0.156117D-01 -0.380279D+01  0.358034D+01
      3   0.461724D-01  0.156117D-01  0.156144D+00 -0.630174D+00  0.516887D+00
               156           157           158           159           160 
      1  -0.630174D+00 -0.362744D+01  0.452140D+01  0.948771D+00 -0.545089D+00
      2   0.516887D+00  0.452140D+01 -0.679723D+01 -0.127607D+01  0.721306D+00
      3   0.529732D+00  0.948771D+00 -0.127607D+01 -0.846706D+00  0.142896D+00
               161           162           163           164           165 
      1   0.721306D+00  0.142896D+00 -0.167317D+01 -0.182415D+01 -0.608405D+00
      2  -0.147597D+01 -0.271491D+00 -0.182415D+01 -0.212026D+01 -0.757817D+00
      3  -0.271491D+00 -0.194634D+00 -0.608405D+00 -0.757817D+00 -0.403282D+00
               166           167           168           169           170 
      1  -0.154295D+01 -0.218432D+01 -0.659676D+00 -0.764357D+00 -0.904908D+00
      2  -0.218432D+01 -0.768131D+01 -0.223105D+01 -0.904908D+00 -0.236193D+01
      3  -0.659676D+00 -0.223105D+01 -0.135367D+01 -0.234836D+00 -0.767531D+00
               171 
      1  -0.234836D+00
      2  -0.767531D+00
      3  -0.469987D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.410373D+00  0.675493D+00  0.109770D+01 -0.175996D+00 -0.374222D+01
      2   0.686563D+01 -0.122978D+01  0.146750D+01 -0.318181D+00  0.346359D+01
      3   0.157975D+02 -0.474780D+01  0.210639D+01  0.228484D+01  0.105119D+02
                 6             7             8             9            10 
      1  -0.464328D+01 -0.260526D+01  0.422127D+01  0.588113D+00 -0.184446D+01
      2  -0.283119D+01 -0.275731D+01 -0.134235D+00  0.297205D+01  0.371421D+01
      3  -0.527438D+01  0.813594D+00 -0.135002D+01  0.277882D+01  0.156474D+01
                11            12            13            14            15 
      1  -0.253673D+00  0.247408D-01  0.121605D+01  0.254625D+01  0.193237D+01
      2   0.244736D+01 -0.393404D+01  0.392569D+01 -0.644198D+01 -0.658774D+01
      3   0.196324D+01 -0.643392D+00  0.120767D+02 -0.305866D+01  0.888109D+01
                16            17            18            19            20 
      1   0.530716D+01  0.497043D+01 -0.189320D+01 -0.626140D+00  0.840151D+00
      2  -0.170881D+02 -0.102550D+02 -0.207808D+00 -0.692904D+01  0.338989D+00
      3  -0.131061D+01  0.745130D+01  0.664841D+01 -0.974149D+01 -0.414299D+01
                21            22            23            24            25 
      1   0.919320D+00  0.506878D+00 -0.239799D+00 -0.540990D+00  0.649481D+00
      2   0.539337D+01 -0.721906D-02 -0.993929D+00  0.136493D+00  0.122971D+01
      3   0.783769D-01 -0.115747D+01  0.465113D+00  0.386184D+00  0.194931D+00
                26            27            28            29            30 
      1   0.766727D-01 -0.347031D+00 -0.107709D+01  0.135524D+00 -0.114371D+01
      2  -0.516167D+00  0.519935D-01  0.135889D+01  0.552380D+00  0.298224D+01
      3   0.358764D+00 -0.255413D+00 -0.243887D+01 -0.314679D+01 -0.255903D+00
                31            32            33            34            35 
      1  -0.285811D+00  0.123178D+01 -0.283347D+01 -0.142256D+01  0.128398D+01
      2  -0.440680D+00  0.455198D+01  0.575103D+01  0.535337D+00  0.441210D+01
      3   0.445499D+00 -0.775422D+01 -0.545436D+01  0.851032D+00 -0.552939D+01
                36            37            38            39            40 
      1  -0.261729D+01  0.414407D+01 -0.327368D+01 -0.166232D+01 -0.934436D-01
      2   0.718136D+01 -0.142493D+02 -0.530687D+01  0.977812D+01 -0.734779D+01
      3  -0.487829D+01 -0.380384D+01 -0.116161D+02  0.126147D+01 -0.498648D+01
                41            42            43            44            45 
      1   0.251217D+01 -0.110307D+02 -0.217404D+01 -0.539298D+01 -0.295735D+01
      2   0.113349D+02  0.667965D+01  0.704602D+01  0.764582D+01  0.372916D+01
      3   0.118350D+02 -0.121104D+02  0.177158D+01 -0.102776D+02 -0.575684D+01
                46            47            48            49            50 
      1  -0.238995D+00 -0.346836D+00 -0.441182D+00 -0.258132D+01 -0.384664D+01
      2  -0.313597D+01 -0.156003D+01 -0.106818D+01 -0.191082D+01  0.526797D+00
      3  -0.358225D+01  0.669694D+01  0.121957D+01  0.178966D+02  0.184482D+01
                51            52            53            54            55 
      1   0.120917D+01 -0.198605D-01  0.103596D+02  0.270145D+01 -0.171797D+01
      2   0.103494D+01 -0.137180D+02  0.719841D+00  0.488824D+00 -0.220128D+01
      3  -0.166709D+01  0.611900D+00  0.697001D+00 -0.494518D+00 -0.510734D+01
                56            57            58            59            60 
      1   0.202650D+01  0.106967D+01  0.136603D+01 -0.601780D+01 -0.891767D+00
      2   0.276751D+01 -0.212375D+01  0.344786D+01 -0.761140D+01  0.474813D+01
      3   0.521221D+01 -0.172835D+01  0.693078D+01 -0.165159D+02  0.663285D+01
                61            62            63            64            65 
      1   0.515559D+00  0.227217D+01  0.400924D+00 -0.679106D+00 -0.157535D+01
      2  -0.235221D+01  0.324230D+01 -0.392699D+01  0.100004D+02  0.853581D+00
      3  -0.933006D+00  0.448139D+01 -0.391746D+01  0.645021D+01 -0.580004D+01
                66            67            68            69            70 
      1  -0.169665D+01 -0.135102D+01 -0.661312D+00 -0.199674D+00 -0.126793D+01
      2   0.704859D+01  0.170215D+01 -0.371204D+00  0.460229D+00  0.182234D+01
      3   0.270417D+00 -0.154802D+01 -0.224291D+01  0.150328D+01  0.557967D-01
                71            72            73            74            75 
      1   0.101008D+01 -0.539608D-01  0.142978D+01  0.142735D+01  0.646291D+00
      2  -0.234712D+00  0.679894D+00 -0.185184D+01 -0.922586D+00 -0.253459D+01
      3   0.585745D+00  0.143953D+01  0.189356D+01  0.986162D+00 -0.795563D-01
                76            77            78            79            80 
      1   0.503385D+00  0.553008D+01  0.390967D+01 -0.162975D+00  0.622666D+01
      2  -0.136694D+01 -0.586244D+01 -0.841240D+01 -0.282058D+01 -0.475070D+01
      3   0.157911D+01  0.551100D+01  0.582749D+01 -0.486339D+00  0.538985D+01
                81            82            83            84            85 
      1   0.657680D+01 -0.628473D+00  0.493425D-01  0.356376D+01 -0.826702D+00
      2  -0.122624D+02  0.258237D+01  0.106829D+00 -0.163963D+01  0.451948D+01
      3   0.517942D+01  0.205363D+01  0.493922D+00  0.160373D+01  0.434003D+01
                86            87            88            89            90 
      1   0.492024D+00 -0.249468D+01  0.683409D+01  0.294912D+01  0.176466D+00
      2   0.129785D+01  0.267661D+00 -0.122003D+02 -0.525483D+00 -0.742180D-02
      3  -0.672317D+01  0.799793D+00 -0.101217D+01 -0.567435D+00 -0.531516D+01
                91            92            93            94            95 
      1   0.111599D+01  0.866530D+00 -0.189617D+01  0.152471D+01  0.999394D-01
      2  -0.694209D+00  0.268408D+01 -0.102150D+00  0.155971D+01 -0.376275D+01
      3   0.456622D+00 -0.118848D+02 -0.308808D+01  0.402902D+01 -0.176248D+01
                96            97            98            99           100 
      1  -0.387010D+01 -0.513403D+01  0.134912D+01 -0.171516D+01  0.250056D+00
      2   0.608261D+01 -0.837277D+01  0.900739D+01  0.508471D+01  0.977158D-01
      3   0.233521D+01 -0.493389D+00  0.256057D+01 -0.470772D+01 -0.128217D+01
               101           102           103           104           105 
      1  -0.774562D+00 -0.123918D+01 -0.936203D+00 -0.348338D+01  0.318063D+01
      2  -0.597259D+00  0.946796D+01 -0.517504D+01 -0.430074D+00  0.412787D+00
      3  -0.803011D+01  0.482741D+00  0.122983D+02  0.726503D+00  0.193081D+01
               106           107           108           109           110 
      1  -0.183678D+01  0.110590D+02  0.342654D+01 -0.955980D+00 -0.132155D+01
      2   0.805872D+01  0.141168D+01  0.302871D+01 -0.126240D+01  0.276817D+01
      3   0.502944D+01  0.144301D+01  0.464947D+00  0.445884D+00 -0.126154D+02
               111           112           113           114           115 
      1   0.327825D+01 -0.189604D+01  0.734181D-01 -0.290190D+01  0.708759D+01
      2   0.268489D+01 -0.114213D+01  0.437112D+01 -0.662466D+01 -0.465526D+01
      3  -0.273704D+01  0.580222D+01  0.521155D+00 -0.301142D+01 -0.741682D+00
               116           117           118           119           120 
      1   0.320003D+01  0.156354D+01 -0.942031D-01  0.205363D+01 -0.289108D+01
      2  -0.988110D+01 -0.498956D+01  0.411963D+01  0.161385D+01 -0.139102D+01
      3  -0.479823D+01  0.350794D+01 -0.999728D+00 -0.123546D+01 -0.245994D+01
               121           122           123           124           125 
      1   0.174925D+01  0.678602D+00 -0.302287D+01 -0.526242D+01  0.145620D+01
      2   0.189173D+01 -0.107236D+01 -0.109288D+01 -0.141069D+02 -0.130795D+01
      3   0.173528D+01  0.737606D+01  0.686554D-01 -0.379895D+01 -0.591701D+00
               126           127           128           129           130 
      1  -0.880933D+00  0.427364D+00 -0.640185D+00  0.189074D+01  0.149677D+00
      2  -0.311838D+01  0.167972D+01 -0.767650D+00  0.490552D+00 -0.734582D+00
      3   0.533933D+01 -0.914335D+01  0.368437D+01  0.105764D+00  0.690381D+01
               131           132           133           134           135 
      1  -0.906381D-01 -0.317415D+01 -0.196270D+00  0.184011D+01 -0.753429D-02
      2   0.128863D+01 -0.100080D+01 -0.146970D+01  0.609317D+00 -0.306578D+00
      3  -0.531390D+01 -0.121437D+01 -0.200291D+00 -0.733500D+00 -0.184238D+00
               136           137           138           139           140 
      1  -0.259975D+00  0.526444D-01 -0.174469D+01 -0.212667D+00  0.541023D+00
      2   0.467706D+00  0.847855D+00  0.187350D+01  0.729719D+00  0.336352D+01
      3  -0.828630D+00 -0.283900D+01 -0.563545D+00 -0.149919D+01 -0.131591D+02
               141           142           143           144           145 
      1  -0.421369D+01  0.539832D+00  0.205160D+01 -0.628495D+00 -0.132347D+00
      2   0.339954D+01 -0.472257D+00  0.197552D+00  0.772975D+00  0.179430D+01
      3  -0.294789D+01 -0.546022D+00 -0.351208D+01 -0.695802D+00 -0.234005D+00
               146           147           148           149           150 
      1   0.470783D+00 -0.437806D+00  0.129779D+00  0.323568D-01 -0.447395D+00
      2   0.118946D-02  0.606322D+01  0.181116D+01  0.394473D+00  0.692663D+00
      3  -0.525336D+01  0.954888D-01 -0.376902D+01 -0.832442D+00 -0.421465D+00
               151           152           153           154           155 
      1   0.250577D+00  0.522580D+00 -0.297834D-01  0.278456D+00 -0.689162D+00
      2  -0.276206D+01 -0.906720D-01  0.563280D+00  0.172531D+00 -0.104078D+00
      3  -0.134182D+01 -0.757173D+00 -0.141553D+00  0.157588D+01 -0.494624D+01
               156           157           158           159           160 
      1   0.211296D+01  0.297884D+00  0.244992D+00 -0.337659D+01 -0.958533D+00
      2   0.259544D+01  0.778971D+00 -0.164985D+01 -0.319188D+01 -0.642060D+00
      3  -0.259500D+00 -0.335937D+01  0.112190D+02  0.161293D+01 -0.115909D+01
               161           162           163           164           165 
      1   0.170439D+01 -0.438353D+00  0.198647D+00  0.277060D+00 -0.145064D+01
      2   0.541331D+00 -0.460023D+00 -0.191181D+01 -0.126106D+01  0.132872D+00
      3   0.265788D+01  0.385992D+00  0.627633D+01  0.356703D+01  0.136158D+01
               166           167           168           169           170 
      1   0.298255D+00  0.866672D+00 -0.377549D+01  0.503712D+00  0.249419D+01
      2  -0.192310D+01 -0.239686D+01  0.758202D-01 -0.218123D+01 -0.737381D+00
      3   0.690390D+01  0.799842D+01  0.274116D+01  0.269510D+01  0.249158D+01
               171 
      1  -0.634975D+00
      2   0.108155D+00
      3   0.602602D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.384742D+02  0.307421D+01  0.152136D+00 -0.542452D+01 -0.619810D+01
      2   0.208389D+02 -0.384025D+01 -0.143565D+01 -0.603876D-02  0.135527D+02
      3   0.176353D+02  0.766036D+00  0.128351D+01  0.543055D+01 -0.735457D+01
      4   0.727359D+01  0.446437D+01 -0.206642D+01  0.189269D+02 -0.200315D+02
      5  -0.647345D+01 -0.208132D+01  0.591608D+01 -0.107614D+02  0.114685D+02
      6  -0.142556D+01 -0.383415D+00 -0.247721D+01  0.428190D+01 -0.649628D+01
                 6             7             8             9            10 
      1   0.105260D+01  0.809403D+00  0.271836D+01 -0.331832D+01  0.113348D+02
      2   0.219284D+01 -0.101668D+01 -0.211533D+01 -0.473861D+01 -0.242608D+01
      3  -0.324544D+01  0.207272D+00 -0.603025D+00  0.805693D+01 -0.890875D+01
      4   0.122182D+02 -0.783350D+01  0.393775D+01 -0.542307D+01 -0.589954D+01
      5  -0.612227D+01  0.123699D+02 -0.595668D+01  0.885930D+01  0.741741D+01
      6   0.126151D+02 -0.163026D+01  0.781810D+01 -0.729725D+01  0.306284D+01
                11            12            13            14            15 
      1   0.153540D+01 -0.221759D+01  0.292200D+01 -0.917681D+00  0.635578D+01
      2   0.891555D+00 -0.115396D+01  0.377965D+01  0.335900D+00 -0.128285D+02
      3  -0.242696D+01  0.337155D+01 -0.670165D+01  0.581781D+00  0.647273D+01
      4  -0.143990D+02  0.443234D+01 -0.247152D+02 -0.500864D+01 -0.188568D+02
      5   0.518767D+01 -0.177258D+02  0.155359D+02 -0.178335D+02 -0.166240D+02
      6   0.149698D+01 -0.229260D+01 -0.550277D+01 -0.583484D+01 -0.154760D+02
                16            17            18            19            20 
      1   0.148951D+02  0.820750D+01 -0.281732D+01  0.672170D+02 -0.103932D+02
      2  -0.118057D+02 -0.349906D+01  0.546921D+01 -0.351728D+02  0.436982D+01
      3  -0.308932D+01 -0.470844D+01 -0.265190D+01 -0.320443D+02  0.602334D+01
      4   0.155404D+02 -0.967129D+01 -0.225619D+02 -0.249937D+02  0.122553D+02
      5  -0.307987D+02 -0.210038D+02  0.734796D+00  0.156531D+02 -0.372496D+01
      6  -0.134377D+02 -0.130914D+02  0.533276D+00 -0.289431D+01  0.147854D+01
                21            22            23            24            25 
      1   0.464466D+01 -0.279799D+00  0.399895D+01  0.291287D-01 -0.101212D+01
      2  -0.369125D+01 -0.143225D+01 -0.707140D+00 -0.872435D-01 -0.194449D+00
      3  -0.953405D+00  0.171205D+01 -0.329181D+01  0.581148D-01  0.120657D+01
      4  -0.314345D+01  0.849915D+01 -0.417303D+01  0.417104D+00  0.116827D+01
      5   0.934080D+01 -0.454386D-01  0.947418D+00 -0.582872D+00  0.669195D+01
      6  -0.201285D+01  0.156061D+01 -0.272617D+00  0.162666D+01 -0.132800D+01
                26            27            28            29            30 
      1   0.893466D+00  0.308927D+01  0.368716D+01  0.240349D+01  0.324125D+01
      2   0.151893D+00 -0.270763D+01 -0.223472D+01 -0.987400D+00 -0.144758D+01
      3  -0.104536D+01 -0.381648D+00 -0.145244D+01 -0.141609D+01 -0.179366D+01
      4  -0.389451D+00 -0.217983D+01  0.853293D+01  0.100441D+02  0.414693D+01
      5  -0.186587D+01  0.274868D+01  0.621751D+01  0.408597D+01  0.107741D+02
      6   0.106053D+01 -0.293050D+00  0.480462D+01  0.176796D+01  0.275415D+01
                31            32            33            34            35 
      1   0.229248D+01 -0.733065D+01 -0.559883D+01  0.132553D+01 -0.641648D+01
      2  -0.894345D+00  0.800050D+01  0.429101D+01 -0.179800D+01  0.151349D+01
      3  -0.139814D+01 -0.669848D+00  0.130782D+01  0.472479D+00  0.490300D+01
      4   0.122677D+02  0.197539D+02  0.122446D+02  0.570413D+01  0.125547D+02
      5   0.550483D+01  0.116020D+02  0.136334D+02  0.136292D+02  0.124703D+02
      6   0.462636D+01  0.135250D+02  0.129027D+02  0.609102D+01  0.128264D+02
                36            37            38            39            40 
      1  -0.848240D+01 -0.658437D+02 -0.178855D+02  0.686634D+01 -0.150332D+02
      2  -0.338028D+01  0.264412D+02  0.130038D+02  0.703854D+00  0.784437D+01
      3   0.118627D+02  0.394025D+02  0.488173D+01 -0.757020D+01  0.718887D+01
      4   0.134023D+02 -0.227748D+02  0.906063D+01 -0.340937D+01  0.118534D+02
      5   0.184124D+02  0.869542D+01 -0.951779D+00  0.137593D+02 -0.754310D+01
      6   0.141153D+02  0.127347D+01 -0.775846D+01  0.512532D+01 -0.556773D+01
                41            42            43            44            45 
      1   0.226380D+02 -0.226209D+01 -0.696793D+01 -0.337555D+01  0.116487D+02
      2  -0.145069D+02  0.167497D+02  0.101027D+02  0.130050D+02 -0.532928D+01
      3  -0.813101D+01 -0.144876D+02 -0.313482D+01 -0.962945D+01 -0.631941D+01
      4  -0.667307D+01  0.138474D+02 -0.144130D+02  0.780798D+01  0.200851D+02
      5   0.920494D+01  0.162784D+02  0.262182D+02  0.180078D+02 -0.575195D+01
      6   0.710915D+01 -0.451442D+01  0.108302D+02  0.184379D+00 -0.110105D+02
                46            47            48            49            50 
      1  -0.168004D+02 -0.572240D+00 -0.281013D+01  0.154280D+01 -0.423153D+01
      2   0.488494D+01  0.479868D+00  0.399566D+00 -0.367357D+01  0.975294D+01
      3   0.119155D+02  0.923718D-01  0.241056D+01  0.213077D+01 -0.552141D+01
      4   0.132637D+02  0.565038D+01 -0.549557D-01 -0.514398D+01 -0.273242D+01
      5  -0.951266D+01 -0.790694D+00  0.589116D+00 -0.534330D+01  0.191303D+01
      6  -0.375347D+01  0.592876D+00  0.922048D+00 -0.181940D+01  0.478975D+01
                51            52            53            54            55 
      1  -0.276142D+00 -0.100293D+02 -0.187076D+01 -0.827056D+01 -0.603125D+00
      2   0.650265D+01  0.924598D+00  0.291135D+01 -0.278739D+01  0.278179D+01
      3  -0.622651D+01  0.910466D+01 -0.104060D+01  0.110580D+02 -0.217866D+01
      4   0.151963D+01 -0.602929D+01  0.393598D+00  0.312997D+01  0.213560D+01
      5   0.192491D+01  0.542671D+01  0.251585D+01 -0.333681D+00  0.635674D+00
      6  -0.118362D+01 -0.245576D+00  0.785030D+01 -0.265712D+01 -0.289273D+01
                56            57            58            59            60 
      1   0.101871D+02 -0.544608D+01  0.105703D+02 -0.241308D+02  0.100937D+02
      2  -0.869506D+01  0.190007D+01 -0.672762D+01  0.271183D+02 -0.703021D+01
      3  -0.149208D+01  0.354601D+01 -0.384270D+01 -0.298757D+01 -0.306346D+01
      4  -0.250569D+01  0.123816D+01  0.261953D+01  0.232058D+02 -0.956368D+01
      5  -0.395481D+00 -0.208971D+01 -0.361390D+01 -0.687065D+01  0.653654D+01
      6   0.571669D+01 -0.423021D+01  0.208004D+01 -0.189719D+02  0.120453D+02
                61            62            63            64            65 
      1  -0.242011D+01  0.738555D+01 -0.931066D+01  0.894706D+02  0.111046D+02
      2   0.743147D+00 -0.396523D+01  0.299459D+01 -0.439084D+02 -0.332561D+01
      3   0.167696D+01 -0.342032D+01  0.631607D+01 -0.455621D+02 -0.777895D+01
      4   0.109195D+01 -0.575898D+01  0.367513D+01  0.303829D+02  0.158143D+02
      5   0.124475D+01  0.348032D+01 -0.486131D+01 -0.245155D+02 -0.450520D+01
      6  -0.222107D+01  0.106172D+02 -0.670227D+01 -0.440316D+01 -0.310381D+01
                66            67            68            69            70 
      1  -0.312210D+01  0.715552D+01  0.556417D+01  0.574743D+00  0.862994D+01
      2   0.469942D+01 -0.117896D+01 -0.811435D+00 -0.114389D+01 -0.190148D+01
      3  -0.157732D+01 -0.597656D+01 -0.475273D+01  0.569145D+00 -0.672845D+01
      4  -0.293819D+01  0.156408D+02  0.817427D+01 -0.255383D+01  0.331596D+01
      5   0.138831D+02 -0.196305D+01 -0.343268D+01  0.865017D+00  0.927720D+01
      6   0.338740D+01 -0.230897D+01 -0.218451D+01  0.259363D+01  0.260117D+01
                71            72            73            74            75 
      1   0.104689D+01  0.549686D+01  0.393357D+01 -0.844709D+00 -0.607097D+01
      2  -0.679373D+00 -0.424411D+01 -0.334375D+01 -0.122194D+00  0.236881D+00
      3  -0.367517D+00 -0.125274D+01 -0.589821D+00  0.966903D+00  0.583409D+01
      4   0.125831D+01  0.984486D+00 -0.475492D+00 -0.117029D+01  0.668836D-01
      5   0.240532D+00 -0.733391D+00 -0.242234D+01  0.149092D+01 -0.386966D+00
      6   0.159490D+01  0.423711D+00  0.159230D+01  0.179041D+01 -0.372944D+00
                76            77            78            79            80 
      1  -0.458908D+01 -0.662701D+01 -0.573185D+01 -0.505752D+01 -0.402257D+01
      2   0.328194D+01 -0.684220D+00 -0.757698D+01  0.317707D+01 -0.635063D+01
      3   0.130714D+01  0.731123D+01  0.133088D+02  0.188045D+01  0.103732D+02
      4   0.561166D+00 -0.105862D+02 -0.101217D+02 -0.369287D+00 -0.969763D+01
      5   0.643965D+01 -0.820117D+01 -0.151561D+02  0.603629D+01 -0.710167D+01
      6  -0.163383D+00  0.688181D+01  0.718344D+01 -0.197603D+00  0.663074D+01
                81            82            83            84            85 
      1  -0.137077D+02  0.297855D+01  0.166232D+02  0.572697D+01 -0.615634D+01
      2  -0.123203D+02 -0.482768D+01 -0.114191D+02 -0.120011D+00  0.134405D+02
      3   0.260280D+02  0.184913D+01 -0.520403D+01 -0.560696D+01 -0.728415D+01
      4  -0.907482D+01  0.598076D+01 -0.145711D+02 -0.806537D+00 -0.143818D+00
      5  -0.203928D+02  0.450534D+01 -0.151743D+01 -0.226104D+01  0.366983D+01
      6   0.473657D+01  0.248111D+01 -0.173295D+01 -0.695941D+01  0.790899D+01
                86            87            88            89            90 
      1  -0.401775D+00  0.415317D+01 -0.164907D+01  0.626920D+01 -0.141942D+02
      2  -0.326363D+01 -0.376620D+01  0.675785D+01 -0.854474D+01  0.223090D+01
      3   0.366541D+01 -0.386969D+00 -0.510879D+01  0.227554D+01  0.119633D+02
      4   0.138872D+02  0.268033D+01  0.239928D+01  0.245792D-01  0.366840D+01
      5   0.239591D+01 -0.461083D+00  0.496010D+01  0.314391D+01 -0.152291D+01
      6  -0.558036D+01  0.547793D+01 -0.147678D+01  0.123824D+02 -0.163864D+00
                91            92            93            94            95 
      1   0.599028D+01 -0.217913D+02 -0.295192D+01  0.243123D+02  0.111244D+02
      2  -0.456094D+01  0.140460D+02  0.723717D+00 -0.221755D+02 -0.138650D+02
      3  -0.142934D+01  0.774532D+01  0.222820D+01 -0.213676D+01  0.274069D+01
      4  -0.116450D+02 -0.545385D+01 -0.447940D+01  0.997788D+01 -0.305113D+01
      5  -0.713364D+01 -0.278743D+01 -0.335486D+01  0.671891D+00 -0.832515D+01
      6  -0.537190D+01 -0.235188D+01  0.433667D+01 -0.648598D+01 -0.122914D+02
                96            97            98            99           100 
      1   0.322144D+01  0.511567D+01 -0.110759D+01 -0.597429D+01 -0.120055D+02
      2  -0.825006D+01 -0.903903D+01 -0.842456D+01 -0.617123D+01  0.706990D+01
      3   0.502862D+01  0.392337D+01  0.953215D+01  0.121455D+02  0.493555D+01
      4  -0.794942D+01 -0.491764D+01 -0.116233D+02  0.131970D+02 -0.245647D+01
      5   0.123847D+02  0.131555D+02  0.134738D+02  0.107918D+02 -0.658554D+01
      6   0.576888D+01  0.465989D+01  0.130437D+02  0.419413D+01  0.525335D+00
               101           102           103           104           105 
      1  -0.268552D+01 -0.776047D+01  0.827022D+01 -0.195347D+02 -0.838992D+01
      2   0.231901D+01  0.337215D+01 -0.603732D+01  0.168118D+02  0.121571D+02
      3   0.366509D+00  0.438832D+01 -0.223290D+01  0.272299D+01 -0.376714D+01
      4   0.253781D+02  0.760095D-01 -0.202430D+02 -0.500421D+01 -0.459287D+01
      5  -0.126207D+00  0.215172D+02 -0.147964D+02 -0.181442D+01  0.998110D+00
      6   0.590435D+00  0.254436D+01 -0.332307D+01  0.452690D+01 -0.544438D+01
               106           107           108           109           110 
      1  -0.676128D+01 -0.908747D+01  0.131784D+02  0.652430D+00  0.235029D+02
      2   0.143450D+01  0.647555D+01 -0.165169D+02 -0.407993D+01 -0.141500D+02
      3   0.532678D+01  0.261192D+01  0.333855D+01  0.342750D+01 -0.935294D+01
      4  -0.150624D+02 -0.646619D+00  0.329803D+00  0.178861D+02  0.318548D+01
      5   0.347432D+02  0.190392D+01  0.662488D+01 -0.768849D+00  0.190170D+01
      6   0.658628D+00  0.708057D+01 -0.519561D+01  0.128949D+01 -0.153055D+01
               111           112           113           114           115 
      1   0.646231D+01 -0.279618D+02  0.375638D+01  0.128825D+01 -0.978378D+01
      2   0.115562D+01  0.267686D+02 -0.742117D+01 -0.178457D+01  0.113977D+02
      3  -0.761793D+01  0.119312D+01  0.366478D+01  0.496321D+00 -0.161390D+01
      4   0.409751D+01  0.424595D+01  0.107339D+02  0.118861D+02 -0.426464D+00
      5   0.535165D+01 -0.597822D+01  0.997451D+01 -0.135471D+02  0.191164D+02
      6  -0.758774D+01  0.878967D+01 -0.752266D+01  0.617986D+01 -0.598784D+01
               116           117           118           119           120 
      1   0.585750D+01  0.214051D+01  0.942519D+01 -0.114898D+02  0.404894D+00
      2  -0.990434D+01 -0.850791D+01 -0.671980D+01  0.882394D+01 -0.293045D+01
      3   0.404684D+01  0.636741D+01 -0.270539D+01  0.266585D+01  0.252556D+01
      4   0.102046D+02 -0.139340D+02 -0.888018D+01 -0.201385D+02 -0.475175D+01
      5  -0.139849D+02 -0.104733D+02  0.285013D+01 -0.348447D+01 -0.559747D+01
      6   0.120841D+02 -0.751587D+00 -0.232382D+01 -0.325789D+01  0.572340D+01
               121           122           123           124           125 
      1   0.446853D+01  0.737794D+01  0.555854D+01  0.300194D+01  0.330819D+01
      2  -0.107864D+02 -0.977403D+01 -0.796568D+01 -0.530581D+01 -0.103260D+02
      3   0.631791D+01  0.239609D+01  0.240714D+01  0.230388D+01  0.701776D+01
      4   0.124169D+02 -0.132781D+02 -0.287521D+01 -0.887604D+00 -0.439599D+01
      5  -0.154988D+01 -0.320841D+01 -0.833435D+00  0.157974D+01 -0.599369D+01
      6  -0.725874D+01 -0.115873D+02  0.309397D+01  0.144322D+01  0.108604D+02
               126           127           128           129           130 
      1  -0.156633D+02 -0.485695D+01  0.797925D+01  0.864906D+00  0.909728D+01
      2  -0.116351D+01  0.693907D+01 -0.111861D+02 -0.113595D+01 -0.118057D+02
      3   0.168268D+02 -0.208212D+01  0.320684D+01  0.271040D+00  0.270845D+01
      4  -0.740749D+01 -0.850160D+01  0.829536D+01  0.105844D+01  0.770482D+01
      5  -0.610433D+01 -0.677807D+00  0.127558D+01  0.138893D+01  0.130207D+01
      6   0.474462D+01  0.900597D+00 -0.121608D+01 -0.210180D+01 -0.236379D+01
               131           132           133           134           135 
      1  -0.225911D+02 -0.367182D+01  0.139539D+01 -0.386858D+01 -0.902699D+00
      2   0.302349D+02  0.310765D+01 -0.203145D+01  0.480136D+01  0.157204D+01
      3  -0.764382D+01  0.564169D+00  0.636059D+00 -0.932778D+00 -0.669342D+00
      4  -0.879126D+01 -0.103483D+01  0.101234D+01 -0.131010D+01 -0.170885D+01
      5  -0.138923D+01 -0.137330D+01  0.982710D+00 -0.667921D+00 -0.738355D+00
      6   0.500903D+01  0.520373D+01 -0.107080D+01  0.214222D+01  0.122693D+01
               136           137           138           139           140 
      1   0.620182D+01  0.526438D+01  0.123612D+01 -0.760159D+00 -0.142714D+02
      2   0.288050D+01  0.472487D+01  0.391653D+00  0.112337D+02  0.348813D+02
      3  -0.908232D+01 -0.998925D+01 -0.162777D+01 -0.104736D+02 -0.206100D+02
      4   0.200785D+02  0.243423D+02  0.621090D+01  0.252065D+02  0.465759D+02
      5   0.542295D+01  0.618475D+01  0.541265D+01  0.630527D+01  0.108795D+02
      6   0.413248D+01  0.476199D+01  0.317581D+01  0.628881D+01  0.143634D+02
               141           142           143           144           145 
      1  -0.362707D+01  0.567608D+00 -0.283799D+01 -0.158900D+01  0.101696D+03
      2   0.581196D+01  0.210189D+01  0.766517D+01  0.276550D+01 -0.576475D+02
      3  -0.218489D+01 -0.266950D+01 -0.482717D+01 -0.117650D+01 -0.440488D+02
      4   0.110895D+02  0.739863D+01  0.130433D+02  0.427682D+01  0.954875D+01
      5   0.637958D+01  0.266079D+01  0.372953D+01  0.260032D+01  0.127788D+02
      6   0.932076D+01  0.258341D+01  0.532063D+01  0.368494D+01 -0.238417D+01
               146           147           148           149           150 
      1   0.678780D+01  0.828114D+01  0.467899D+01  0.944366D+01  0.211482D+01
      2  -0.339077D+01 -0.556867D+01 -0.206656D+01 -0.445523D+01 -0.186795D+01
      3  -0.339702D+01 -0.271247D+01 -0.261244D+01 -0.498842D+01 -0.246865D+00
      4   0.881053D+01  0.635323D+00  0.152942D+02  0.299350D+01  0.154038D+01
      5   0.727169D+00  0.100954D+02  0.413703D+01  0.178918D+01  0.120332D+01
      6   0.407713D+00  0.197610D+00  0.108646D+01 -0.162660D+00  0.164362D+01
               151           152           153           154           155 
      1   0.103616D+02  0.239864D+01  0.322428D+01  0.197092D+02 -0.128803D+02
      2  -0.585524D+01 -0.135254D+01 -0.190545D+01 -0.243964D+01 -0.187028D+01
      3  -0.450631D+01 -0.104610D+01 -0.131883D+01 -0.172696D+02  0.147506D+02
      4   0.453302D+01  0.160733D+01  0.845304D+00 -0.324337D+02  0.308625D+02
      5   0.298707D+01  0.544684D+00  0.182688D+01 -0.608699D+01  0.446467D+01
      6   0.138536D+00  0.608524D+00  0.598388D+00  0.219933D+01 -0.197625D+01
               156           157           158           159           160 
      1  -0.252164D+01 -0.768275D+01  0.186535D+01  0.431726D+00 -0.344046D+00
      2   0.648325D+00 -0.752615D+01  0.188121D+02  0.141470D+01 -0.180031D+01
      3   0.187332D+01  0.152089D+02 -0.206774D+02 -0.184643D+01  0.214436D+01
      4   0.440934D+01  0.336863D+02 -0.452820D+02 -0.824873D+01  0.590341D+01
      5   0.571740D+01  0.691219D+01 -0.857835D+01 -0.574737D+01  0.235186D+01
      6  -0.285784D+01 -0.449912D+01  0.651755D+01  0.601668D+01 -0.166393D+01
               161           162           163           164           165 
      1  -0.702110D+00 -0.164465D+00 -0.529558D+01 -0.819776D+01 -0.333350D+01
      2   0.383543D+01  0.116867D+01  0.631620D+01  0.946696D+01  0.242911D+01
      3  -0.313332D+01 -0.100420D+01 -0.102061D+01 -0.126919D+01  0.904390D+00
      4  -0.804118D+01 -0.289340D+01  0.426903D+01  0.737589D+01  0.174145D+01
      5  -0.220657D+01 -0.134125D+01  0.123515D+01  0.150976D+01  0.204095D+01
      6   0.243334D+01  0.204977D+01  0.318754D+01  0.470770D+01  0.272583D+01
               166           167           168           169           170 
      1  -0.828380D+01 -0.310679D+02 -0.962495D+01 -0.290013D+01 -0.910500D+01
      2   0.968367D+01  0.390562D+02  0.869137D+01  0.328554D+01  0.104937D+02
      3  -0.139986D+01 -0.798825D+01  0.933584D+00 -0.385416D+00 -0.138869D+01
      4   0.515787D+01  0.578522D+00 -0.411377D+00  0.187178D+01  0.702424D+00
      5   0.111601D+01 -0.521529D+00  0.243460D+00  0.118008D+01  0.561933D+00
      6   0.390487D+01  0.146451D+02  0.931697D+01  0.154496D+01  0.585380D+01
               171 
      1  -0.396368D+01
      2   0.399116D+01
      3  -0.274718D-01
      4   0.158906D+01
      5   0.888897D+00
      6   0.422684D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.105162D+03      0.155833D+02      0.173388D+02
   aniso      0.528699D+02      0.783451D+01      0.871706D+01
   xx         0.133813D+03      0.198290D+02      0.220628D+02
   yx         0.129148D+01      0.191377D+00      0.212936D+00
   yy         0.107301D+03      0.159003D+02      0.176915D+02
   zx         0.123475D+01      0.182972D+00      0.203583D+00
   zy         0.646323D+01      0.957752D+00      0.106564D+01
   zz         0.743709D+02      0.110206D+02      0.122621D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.105162D+03      0.155833D+02      0.173388D+02
   aniso      0.528699D+02      0.783451D+01      0.871706D+01
   xx         0.101653D+03      0.150635D+02      0.167604D+02
   yx        -0.181767D+02     -0.269350D+01     -0.299693D+01
   yy         0.100319D+03      0.148657D+02      0.165403D+02
   zx        -0.231422D+02     -0.342932D+01     -0.381564D+01
   zy        -0.361060D+01     -0.535036D+00     -0.595307D+00
   zz         0.113513D+03      0.168208D+02      0.187157D+02

 ----------------------------------------------------------------------
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 IN THE FIGHT BETWEEN YOU AND THE WORLD, BACK THE WORLD

                                        -- FRANZ KAFKA
 Job cpu time:       0 days  2 hours 16 minutes 18.3 seconds.
 Elapsed time:       0 days  0 hours 17 minutes  5.7 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:01:06 2021.
